CID 207054

29110-75-6

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-12-5-3-2-4-6-12/h2-10,14-15H,1H3
InChIKey
PLSIVQUSANQNEQ-UHFFFAOYSA-N
Compound name
4-methyl-N'-phenylbenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

8
Patents

262.0776 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.084876 155.9
[M+Na]+ 285.066818 163.2
[M-H]- 261.070324 162.8
[M+NH4]+ 280.111423 172.2
[M+K]+ 301.040758 158.5
[M+H-H2O]+ 245.074860 148.4
[M+HCOO]- 307.075801 176.7
[M+CH3COO]- 321.091451 196.7
[M+Na-2H]- 283.052266 162.6
[M]+ 262.07705142 156.7
[M]- 262.07814858 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe