CID 21111689

3,3-difluoroprop-2-en-1-amine hydrochloride

Structural Information

Molecular Formula
C3H5F2N
SMILES
C(C=C(F)F)N
InChI
InChI=1S/C3H5F2N/c4-3(5)1-2-6/h1H,2,6H2
InChIKey
NXDISQNMKXPILO-UHFFFAOYSA-N
Compound name
3,3-difluoroprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

93.03901 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.046286 113.3
[M+Na]+ 116.028228 121.1
[M-H]- 92.031734 110.9
[M+NH4]+ 111.072833 136.3
[M+K]+ 132.002168 120.3
[M+H-H2O]+ 76.036270 107.4
[M+HCOO]- 138.037211 135.6
[M+CH3COO]- 152.052861 166.9
[M+Na-2H]- 114.013676 118.8
[M]+ 93.03846142 107.7
[M]- 93.03955858 107.7
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