CID 72208272

(2,2-difluorocyclobutyl)methanamine hydrochloride

Structural Information

Molecular Formula
C5H9F2N
SMILES
C1CC(C1CN)(F)F
InChI
InChI=1S/C5H9F2N/c6-5(7)2-1-4(5)3-8/h4H,1-3,8H2
InChIKey
MLCCHSZUZDDCAR-UHFFFAOYSA-N
Compound name
(2,2-difluorocyclobutyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

121.070305 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07758 122.4
[M+Na]+ 144.05952 129.4
[M-H]- 120.06303 123.5
[M+NH4]+ 139.10413 139.9
[M+K]+ 160.03346 131.1
[M+H-H2O]+ 104.06756 112.1
[M+HCOO]- 166.06851 143.0
[M+CH3COO]- 180.08416 176.0
[M+Na-2H]- 142.04497 128.0
[M]+ 121.06976 125.6
[M]- 121.07085 125.6
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