CID 126688674

2-fluoro-2-methylpropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H8ClFO2S
SMILES
CC(C)(CS(=O)(=O)Cl)F
InChI
InChI=1S/C4H8ClFO2S/c1-4(2,6)3-9(5,7)8/h3H2,1-2H3
InChIKey
ZDKDKCJQILHICV-UHFFFAOYSA-N
Compound name
2-fluoro-2-methylpropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

173.99176 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.999036 128.4
[M+Na]+ 196.980978 138.2
[M-H]- 172.984484 128.4
[M+NH4]+ 192.025583 150.2
[M+K]+ 212.954918 135.5
[M+H-H2O]+ 156.989020 124.9
[M+HCOO]- 218.989961 139.6
[M+CH3COO]- 233.005611 174.6
[M+Na-2H]- 194.966426 133.4
[M]+ 173.99121142 131.9
[M]- 173.99230858 131.9
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