CID 5934813

155378-73-7

Structural Information

Molecular Formula
C9H7ClO4S
SMILES
C1=CC(=CC=C1/C=C/C(=O)O)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
InChIKey
ZGGPGWYMMZNPOY-ZZXKWVIFSA-N
Compound name
(E)-3-(4-chlorosulfonylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

245.97536 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.98264 146.2
[M+Na]+ 268.96458 155.7
[M-H]- 244.96808 149.3
[M+NH4]+ 264.00918 164.3
[M+K]+ 284.93852 150.6
[M+H-H2O]+ 228.97262 142.2
[M+HCOO]- 290.97356 158.6
[M+CH3COO]- 304.98921 182.8
[M+Na-2H]- 266.95003 149.6
[M]+ 245.97481 150.5
[M]- 245.97591 150.5
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