CID 165945470

3-chloro-2-hydroxypropane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C3H6ClFO3S
SMILES
C(C(CCl)O)S(=O)(=O)F
InChI
InChI=1S/C3H6ClFO3S/c4-1-3(6)2-9(5,7)8/h3,6H,1-2H2
InChIKey
RGQVLPLKOPAOLU-UHFFFAOYSA-N
Compound name
3-chloro-2-hydroxypropane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.97102 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.97830 126.4
[M+Na]+ 198.96024 135.4
[M-H]- 174.96374 124.8
[M+NH4]+ 194.00484 147.2
[M+K]+ 214.93418 132.5
[M+H-H2O]+ 158.96828 122.8
[M+HCOO]- 220.96922 137.2
[M+CH3COO]- 234.98487 171.3
[M+Na-2H]- 196.94569 129.8
[M]+ 175.97047 129.0
[M]- 175.97157 129.0
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.