CID 165531908

3-amino-2,2-dimethylpropane-1-sulfonyl fluoride hydrochloride

Structural Information

Molecular Formula
C5H12FNO2S
SMILES
CC(C)(CN)CS(=O)(=O)F
InChI
InChI=1S/C5H12FNO2S/c1-5(2,3-7)4-10(6,8)9/h3-4,7H2,1-2H3
InChIKey
COPUHMNHKDRDEU-UHFFFAOYSA-N
Compound name
3-amino-2,2-dimethylpropane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.05728 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06456 132.6
[M+Na]+ 192.04650 140.5
[M-H]- 168.05000 131.5
[M+NH4]+ 187.09110 153.1
[M+K]+ 208.02044 138.8
[M+H-H2O]+ 152.05454 127.4
[M+HCOO]- 214.05548 148.3
[M+CH3COO]- 228.07113 177.7
[M+Na-2H]- 190.03195 136.8
[M]+ 169.05673 132.9
[M]- 169.05783 132.9
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

No patent data available for this compound.