CID 5144861

Benzenesulfonic acid 2-(2-bromo-5-(trifluoromethyl)phenyl)hydrazide

Structural Information

Molecular Formula
C13H10BrF3N2O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NNC2=C(C=CC(=C2)C(F)(F)F)Br
InChI
InChI=1S/C13H10BrF3N2O2S/c14-11-7-6-9(13(15,16)17)8-12(11)18-19-22(20,21)10-4-2-1-3-5-10/h1-8,18-19H
InChIKey
ZLMCELCTXGTJSG-UHFFFAOYSA-N
Compound name
N'-[2-bromo-5-(trifluoromethyl)phenyl]benzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.95984 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.96712 170.3
[M+Na]+ 416.94906 181.4
[M-H]- 392.95256 175.7
[M+NH4]+ 411.99366 185.1
[M+K]+ 432.92300 167.1
[M+H-H2O]+ 376.95710 166.1
[M+HCOO]- 438.95804 184.0
[M+CH3COO]- 452.97369 214.0
[M+Na-2H]- 414.93451 176.7
[M]+ 393.95929 185.9
[M]- 393.96039 185.9
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.