CID 22935853

2-methylbutane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C5H11FO2S
SMILES
CCC(C)CS(=O)(=O)F
InChI
InChI=1S/C5H11FO2S/c1-3-5(2)4-9(6,7)8/h5H,3-4H2,1-2H3
InChIKey
LJDVBOOLADPRQH-UHFFFAOYSA-N
Compound name
2-methylbutane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.04637 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05365 127.5
[M+Na]+ 177.03559 135.7
[M-H]- 153.03909 127.1
[M+NH4]+ 172.08019 149.2
[M+K]+ 193.00953 134.8
[M+H-H2O]+ 137.04363 122.5
[M+HCOO]- 199.04457 143.4
[M+CH3COO]- 213.06022 174.1
[M+Na-2H]- 175.02104 130.5
[M]+ 154.04582 129.7
[M]- 154.04692 129.7
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

No patent data available for this compound.