CID 137935423

2248328-54-1

Structural Information

Molecular Formula
C4H6FNO2S
SMILES
CC(CS(=O)(=O)F)C#N
InChI
InChI=1S/C4H6FNO2S/c1-4(2-6)3-9(5,7)8/h4H,3H2,1H3
InChIKey
HHMRACNFEZTXKM-UHFFFAOYSA-N
Compound name
2-cyanopropane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.01033 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.01761 129.6
[M+Na]+ 173.99955 139.8
[M-H]- 150.00305 130.4
[M+NH4]+ 169.04415 149.3
[M+K]+ 189.97349 139.7
[M+H-H2O]+ 134.00759 118.2
[M+HCOO]- 196.00853 143.0
[M+CH3COO]- 210.02418 185.4
[M+Na-2H]- 171.98500 133.0
[M]+ 151.00978 126.4
[M]- 151.01088 126.4
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.