CID 43163694

(2,2-difluoroethyl)(ethyl)amine hydrochloride

Structural Information

Molecular Formula
C4H9F2N
SMILES
CCNCC(F)F
InChI
InChI=1S/C4H9F2N/c1-2-7-3-4(5)6/h4,7H,2-3H2,1H3
InChIKey
UKCJPWSGPORHQG-UHFFFAOYSA-N
Compound name
N-ethyl-2,2-difluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
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

literature stripe

Patent stripe

patents stripe