CID 155978233

3-[(difluoromethyl)sulfanyl]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C5H9F2NS
SMILES
C1CNCC1SC(F)F
InChI
InChI=1S/C5H9F2NS/c6-5(7)9-4-1-2-8-3-4/h4-5,8H,1-3H2
InChIKey
OJERONGCUYVBAV-UHFFFAOYSA-N
Compound name
3-(difluoromethylsulfanyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.04237 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04965 127.6
[M+Na]+ 176.03159 134.3
[M-H]- 152.03509 125.5
[M+NH4]+ 171.07619 148.7
[M+K]+ 192.00553 132.2
[M+H-H2O]+ 136.03963 120.3
[M+HCOO]- 198.04057 140.1
[M+CH3COO]- 212.05622 170.4
[M+Na-2H]- 174.01704 127.1
[M]+ 153.04182 122.0
[M]- 153.04292 122.0
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.