CID 31360

3-chloro-2-hydroxypropane-1-sulfonic acid

Structural Information

Molecular Formula
C3H7ClO4S
SMILES
C(C(CCl)O)S(=O)(=O)O
InChI
InChI=1S/C3H7ClO4S/c4-1-3(5)2-9(6,7)8/h3,5H,1-2H2,(H,6,7,8)
InChIKey
DDLBHIIDBLGOTE-UHFFFAOYSA-N
Compound name
3-chloro-2-hydroxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2491
Patents

173.97536 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98264 128.2
[M+Na]+ 196.96458 136.6
[M-H]- 172.96808 126.6
[M+NH4]+ 192.00918 148.3
[M+K]+ 212.93852 133.6
[M+H-H2O]+ 156.97262 125.7
[M+HCOO]- 218.97356 138.8
[M+CH3COO]- 232.98921 168.1
[M+Na-2H]- 194.95003 131.8
[M]+ 173.97481 131.5
[M]- 173.97591 131.5
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