CID 12615

660-12-8

Structural Information

Molecular Formula
C4H9FO2S
SMILES
CCCCS(=O)(=O)F
InChI
InChI=1S/C4H9FO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
InChIKey
NHGWSCVQFRCBSV-UHFFFAOYSA-N
Compound name
butane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

484
Patents

140.03073 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.038006 123.2
[M+Na]+ 163.019948 132.1
[M-H]- 139.023454 122.8
[M+NH4]+ 158.064553 145.5
[M+K]+ 178.993888 130.9
[M+H-H2O]+ 123.027990 118.2
[M+HCOO]- 185.028931 140.4
[M+CH3COO]- 199.044581 170.3
[M+Na-2H]- 161.005396 127.7
[M]+ 140.03018142 125.6
[M]- 140.03127858 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe