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

202
Patents

159.9761 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.983376 123.5
[M+Na]+ 182.965318 133.4
[M-H]- 158.968824 123.4
[M+NH4]+ 178.009923 145.8
[M+K]+ 198.939258 130.5
[M+H-H2O]+ 142.973360 119.7
[M+HCOO]- 204.974301 136.6
[M+CH3COO]- 218.989951 171.2
[M+Na-2H]- 180.950766 128.2
[M]+ 159.97555142 127.1
[M]- 159.97664858 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