CID 2345109

3-[(2-chlorophenyl)(prop-2-en-1-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C16H14ClNO4S
SMILES
C=CCN(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C16H14ClNO4S/c1-2-10-18(15-9-4-3-8-14(15)17)23(21,22)13-7-5-6-12(11-13)16(19)20/h2-9,11H,1,10H2,(H,19,20)
InChIKey
HEKMQWWKGCTPHN-UHFFFAOYSA-N
Compound name
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.0332 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.04048 175.6
[M+Na]+ 374.02242 183.4
[M-H]- 350.02592 182.7
[M+NH4]+ 369.06702 189.4
[M+K]+ 389.99636 177.9
[M+H-H2O]+ 334.03046 169.1
[M+HCOO]- 396.03140 188.7
[M+CH3COO]- 410.04705 209.8
[M+Na-2H]- 372.00787 177.6
[M]+ 351.03265 181.1
[M]- 351.03375 181.1
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.