CID 59862821

(3,3-difluoropropyl)(methyl)amine hydrochloride

Structural Information

Molecular Formula
C4H9F2N
SMILES
CNCCC(F)F
InChI
InChI=1S/C4H9F2N/c1-7-3-2-4(5)6/h4,7H,2-3H2,1H3
InChIKey
JJCCIEGZFMFFIO-UHFFFAOYSA-N
Compound name
3,3-difluoro-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

109.070305 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.07758 118.9
[M+Na]+ 132.05952 125.8
[M-H]- 108.06303 116.7
[M+NH4]+ 127.10413 141.5
[M+K]+ 148.03346 125.8
[M+H-H2O]+ 92.067565 112.6
[M+HCOO]- 154.06851 141.2
[M+CH3COO]- 168.08416 172.3
[M+Na-2H]- 130.04497 124.8
[M]+ 109.06976 115.5
[M]- 109.07085 115.5
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