CID 56604709

2-methylpropane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C4H9FO2S
SMILES
CC(C)CS(=O)(=O)F
InChI
InChI=1S/C4H9FO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3
InChIKey
FQGRTWKPZRVHRY-UHFFFAOYSA-N
Compound name
2-methylpropane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

140.03073 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03801 122.9
[M+Na]+ 163.01995 131.6
[M-H]- 139.02345 122.7
[M+NH4]+ 158.06455 145.2
[M+K]+ 178.99389 130.9
[M+H-H2O]+ 123.02799 118.1
[M+HCOO]- 185.02893 139.1
[M+CH3COO]- 199.04458 171.1
[M+Na-2H]- 161.00540 126.4
[M]+ 140.03018 124.7
[M]- 140.03128 124.7
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