CID 2758268

4,4-difluorobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C4H9F2N
SMILES
C(CC(F)F)CN
InChI
InChI=1S/C4H9F2N/c5-4(6)2-1-3-7/h4H,1-3,7H2
InChIKey
UREOFAQFBIQBEZ-UHFFFAOYSA-N
Compound name
4,4-difluorobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

109.070305 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.07758 119.4
[M+Na]+ 132.05952 126.3
[M-H]- 108.06303 116.6
[M+NH4]+ 127.10413 141.6
[M+K]+ 148.03346 125.9
[M+H-H2O]+ 92.067565 113.1
[M+HCOO]- 154.06851 141.0
[M+CH3COO]- 168.08416 171.6
[M+Na-2H]- 130.04497 124.2
[M]+ 109.06976 114.9
[M]- 109.07085 114.9
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