CID 51841

73622-55-6

Structural Information

Molecular Formula
C8H6Cl2O3S
SMILES
C1=CC(=C(C=C1Cl)Cl)S(=O)CC(=O)O
InChI
InChI=1S/C8H6Cl2O3S/c9-5-1-2-7(6(10)3-5)14(13)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
GORWCUCHQHDEEV-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)sulfinylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.94147 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.94875 142.1
[M+Na]+ 274.93069 152.0
[M-H]- 250.93419 145.0
[M+NH4]+ 269.97529 160.6
[M+K]+ 290.90463 146.7
[M+H-H2O]+ 234.93873 139.4
[M+HCOO]- 296.93967 149.9
[M+CH3COO]- 310.95532 186.5
[M+Na-2H]- 272.91614 142.9
[M]+ 251.94092 147.4
[M]- 251.94202 147.4
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.