CID 66219617

2-[(difluoromethyl)sulfanyl]propan-1-amine

Structural Information

Molecular Formula
C4H9F2NS
SMILES
CC(CN)SC(F)F
InChI
InChI=1S/C4H9F2NS/c1-3(2-7)8-4(5)6/h3-4H,2,7H2,1H3
InChIKey
WORIYDCSUVXRKV-UHFFFAOYSA-N
Compound name
2-(difluoromethylsulfanyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.04237 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04965 124.6
[M+Na]+ 164.03159 131.1
[M-H]- 140.03509 121.9
[M+NH4]+ 159.07619 145.9
[M+K]+ 180.00553 130.0
[M+H-H2O]+ 124.03963 117.8
[M+HCOO]- 186.04057 139.5
[M+CH3COO]- 200.05622 176.3
[M+Na-2H]- 162.01704 124.8
[M]+ 141.04182 121.6
[M]- 141.04292 121.6
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.