CID 9588877

Methyl 2-((((4-chlorophenyl)methylene)hydrazino)sulfonyl)benzoate

Structural Information

Molecular Formula
C15H13ClN2O4S
SMILES
COC(=O)C1=CC=CC=C1S(=O)(=O)N/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H13ClN2O4S/c1-22-15(19)13-4-2-3-5-14(13)23(20,21)18-17-10-11-6-8-12(16)9-7-11/h2-10,18H,1H3/b17-10+
InChIKey
XFMJBYXPGGYSNZ-LICLKQGHSA-N
Compound name
methyl 2-[[(E)-(4-chlorophenyl)methylideneamino]sulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.02844 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.03572 177.0
[M+Na]+ 375.01766 185.1
[M-H]- 351.02116 185.4
[M+NH4]+ 370.06226 191.2
[M+K]+ 390.99160 180.0
[M+H-H2O]+ 335.02570 169.7
[M+HCOO]- 397.02664 193.8
[M+CH3COO]- 411.04229 212.2
[M+Na-2H]- 373.00311 181.3
[M]+ 352.02789 183.5
[M]- 352.02899 183.5
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.