CID 12032288

3,3-difluoropropan-1-amine hydrochloride

Structural Information

Molecular Formula
C3H7F2N
SMILES
C(CN)C(F)F
InChI
InChI=1S/C3H7F2N/c4-3(5)1-2-6/h3H,1-2,6H2
InChIKey
ITYSTTQEKQMPKF-UHFFFAOYSA-N
Compound name
3,3-difluoropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

326
Patents

95.05466 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.061936 114.7
[M+Na]+ 118.04388 122.0
[M-H]- 94.047384 112.1
[M+NH4]+ 113.08848 137.5
[M+K]+ 134.01782 121.9
[M+H-H2O]+ 78.051920 108.6
[M+HCOO]- 140.05286 136.6
[M+CH3COO]- 154.06851 168.5
[M+Na-2H]- 116.02933 120.1
[M]+ 95.054111 109.8
[M]- 95.055209 109.8
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