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

138
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]+ 116.02823 121.1
[M-H]- 92.031734 110.9
[M+NH4]+ 111.07283 136.3
[M+K]+ 132.00217 120.3
[M+H-H2O]+ 76.036270 107.4
[M+HCOO]- 138.03721 135.6
[M+CH3COO]- 152.05286 166.9
[M+Na-2H]- 114.01368 118.8
[M]+ 93.038461 107.7
[M]- 93.039559 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