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

4
Patents

154.04637 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.053646 127.5
[M+Na]+ 177.035588 135.7
[M-H]- 153.039094 127.1
[M+NH4]+ 172.080193 149.2
[M+K]+ 193.009528 134.8
[M+H-H2O]+ 137.043630 122.5
[M+HCOO]- 199.044571 143.4
[M+CH3COO]- 213.060221 174.1
[M+Na-2H]- 175.021036 130.5
[M]+ 154.04582142 129.7
[M]- 154.04691858 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

patents stripe