CID 12174224

869334-33-8

Structural Information

Molecular Formula
C4H9F2N
SMILES
CC[C@@H](C(F)F)N
InChI
InChI=1S/C4H9F2N/c1-2-3(7)4(5)6/h3-4H,2,7H2,1H3/t3-/m0/s1
InChIKey
PUJAMZHMSFUKSZ-VKHMYHEASA-N
Compound name
(2S)-1,1-difluorobutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

109.070305 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.07758 120.0
[M+Na]+ 132.05952 126.7
[M-H]- 108.06303 117.3
[M+NH4]+ 127.10413 142.2
[M+K]+ 148.03346 126.7
[M+H-H2O]+ 92.067565 113.8
[M+HCOO]- 154.06851 140.6
[M+CH3COO]- 168.08416 172.4
[M+Na-2H]- 130.04497 123.5
[M]+ 109.06976 114.8
[M]- 109.07085 114.8
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