CID 165629890

3-(ethylsulfanyl)-2,2-difluoropropan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H11F2NS
SMILES
CCSCC(CN)(F)F
InChI
InChI=1S/C5H11F2NS/c1-2-9-4-5(6,7)3-8/h2-4,8H2,1H3
InChIKey
ATWIBSJNGGZLJN-UHFFFAOYSA-N
Compound name
3-ethylsulfanyl-2,2-difluoropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05803 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06531 128.8
[M+Na]+ 178.04725 135.9
[M-H]- 154.05075 126.0
[M+NH4]+ 173.09185 149.8
[M+K]+ 194.02119 133.9
[M+H-H2O]+ 138.05529 122.3
[M+HCOO]- 200.05623 144.0
[M+CH3COO]- 214.07188 178.0
[M+Na-2H]- 176.03270 131.4
[M]+ 155.05748 126.9
[M]- 155.05858 126.9
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.