CID 1353981

276695-40-0

Structural Information

Molecular Formula
C15H14ClNO4S
SMILES
C1=CC=C(C=C1)CN(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H14ClNO4S/c16-13-6-8-14(9-7-13)22(20,21)17(11-15(18)19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
InChIKey
JPVGYZQZTZCLRZ-UHFFFAOYSA-N
Compound name
2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

339.0332 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04048 172.3
[M+Na]+ 362.02242 179.4
[M-H]- 338.02592 179.2
[M+NH4]+ 357.06702 186.3
[M+K]+ 377.99636 174.6
[M+H-H2O]+ 322.03046 165.7
[M+HCOO]- 384.03140 185.5
[M+CH3COO]- 398.04705 206.4
[M+Na-2H]- 360.00787 175.4
[M]+ 339.03265 177.7
[M]- 339.03375 177.7
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

No patent data available for this compound.