CID 54593061

2-methylpentane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H13FO2S
SMILES
CCCC(C)CS(=O)(=O)F
InChI
InChI=1S/C6H13FO2S/c1-3-4-6(2)5-10(7,8)9/h6H,3-5H2,1-2H3
InChIKey
RVEYUYIQKZYRJQ-UHFFFAOYSA-N
Compound name
2-methylpentane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

168.06203 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.069306 132.1
[M+Na]+ 191.051248 139.9
[M-H]- 167.054754 131.5
[M+NH4]+ 186.095853 153.2
[M+K]+ 207.025188 138.7
[M+H-H2O]+ 151.059290 126.9
[M+HCOO]- 213.060231 147.7
[M+CH3COO]- 227.075881 177.1
[M+Na-2H]- 189.036696 134.6
[M]+ 168.06148142 134.7
[M]- 168.06257858 134.7
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