CID 9666047

4-chloro-n-[2-({(2e)-2-[2-(trifluoromethyl)benzylidene]hydrazino}carbonyl)phenyl]benzenesulfonamide

Structural Information

Molecular Formula
C21H15ClF3N3O3S
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl)C(F)(F)F
InChI
InChI=1S/C21H15ClF3N3O3S/c22-15-9-11-16(12-10-15)32(30,31)28-19-8-4-2-6-17(19)20(29)27-26-13-14-5-1-3-7-18(14)21(23,24)25/h1-13,28H,(H,27,29)/b26-13+
InChIKey
XVBCJWJZEGPXCA-LGJNPRDNSA-N
Compound name
2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.0475 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.05478 206.3
[M+Na]+ 504.03672 213.7
[M-H]- 480.04022 213.2
[M+NH4]+ 499.08132 214.5
[M+K]+ 520.01066 206.0
[M+H-H2O]+ 464.04476 194.6
[M+HCOO]- 526.04570 218.4
[M+CH3COO]- 540.06135 237.7
[M+Na-2H]- 502.02217 209.9
[M]+ 481.04695 207.2
[M]- 481.04805 207.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.