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

31
Patents

109.070305 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.077581 118.9
[M+Na]+ 132.059523 125.8
[M-H]- 108.063029 116.7
[M+NH4]+ 127.104128 141.5
[M+K]+ 148.033463 125.8
[M+H-H2O]+ 92.067565 112.6
[M+HCOO]- 154.068506 141.2
[M+CH3COO]- 168.084156 172.3
[M+Na-2H]- 130.044971 124.8
[M]+ 109.06975642 115.5
[M]- 109.07085358 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