CID 21114841

3-fluoropropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H6ClFO2S
SMILES
C(CF)CS(=O)(=O)Cl
InChI
InChI=1S/C3H6ClFO2S/c4-8(6,7)3-1-2-5/h1-3H2
InChIKey
NSEKXHORSXVZKN-UHFFFAOYSA-N
Compound name
3-fluoropropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

159.9761 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.98338 123.5
[M+Na]+ 182.96532 133.4
[M-H]- 158.96882 123.4
[M+NH4]+ 178.00992 145.8
[M+K]+ 198.93926 130.5
[M+H-H2O]+ 142.97336 119.7
[M+HCOO]- 204.97430 136.6
[M+CH3COO]- 218.98995 171.2
[M+Na-2H]- 180.95077 128.2
[M]+ 159.97555 127.1
[M]- 159.97665 127.1
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

patents stripe