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

36
Patents

121.070305 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.077581 122.4
[M+Na]+ 144.059523 129.4
[M-H]- 120.063029 123.5
[M+NH4]+ 139.104128 139.9
[M+K]+ 160.033463 131.1
[M+H-H2O]+ 104.067565 112.1
[M+HCOO]- 166.068506 143.0
[M+CH3COO]- 180.084156 176.0
[M+Na-2H]- 142.044971 128.0
[M]+ 121.06975642 125.6
[M]- 121.07085358 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