CID 2095452

744203-97-2

Structural Information

Molecular Formula
C11H12ClNO4S
SMILES
C=CCN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H12ClNO4S/c1-2-7-13(8-11(14)15)18(16,17)10-5-3-9(12)4-6-10/h2-6H,1,7-8H2,(H,14,15)
InChIKey
AZGQALIAMDAIST-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

289.01755 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.02483 158.8
[M+Na]+ 312.00677 166.5
[M-H]- 288.01027 162.8
[M+NH4]+ 307.05137 175.2
[M+K]+ 327.98071 162.2
[M+H-H2O]+ 272.01481 153.7
[M+HCOO]- 334.01575 172.0
[M+CH3COO]- 348.03140 197.7
[M+Na-2H]- 309.99222 161.1
[M]+ 289.01700 164.4
[M]- 289.01810 164.4
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.