CID 456824

4clphso2n2 phco

Structural Information

Molecular Formula
C13H11ClN2O3S
SMILES
C1=CC=C(C=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H11ClN2O3S/c14-11-6-8-12(9-7-11)20(18,19)16-15-13(17)10-4-2-1-3-5-10/h1-9,16H,(H,15,17)
InChIKey
DGKKGGSUZSDSOH-UHFFFAOYSA-N
Compound name
N'-(4-chlorophenyl)sulfonylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.01788 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02516 165.2
[M+Na]+ 333.00710 172.9
[M-H]- 309.01060 172.2
[M+NH4]+ 328.05170 180.3
[M+K]+ 348.98104 167.2
[M+H-H2O]+ 293.01514 158.7
[M+HCOO]- 355.01608 180.9
[M+CH3COO]- 369.03173 201.9
[M+Na-2H]- 330.99255 170.6
[M]+ 310.01733 168.2
[M]- 310.01843 168.2
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.