CID 15604494

(4,4-difluorocyclohexyl)methanamine

Structural Information

Molecular Formula
C7H13F2N
SMILES
C1CC(CCC1CN)(F)F
InChI
InChI=1S/C7H13F2N/c8-7(9)3-1-6(5-10)2-4-7/h6H,1-5,10H2
InChIKey
XAAFYIOYLLPWMM-UHFFFAOYSA-N
Compound name
(4,4-difluorocyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

578
Patents

149.10161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.108886 129.5
[M+Na]+ 172.090828 135.7
[M-H]- 148.094334 129.7
[M+NH4]+ 167.135433 152.2
[M+K]+ 188.064768 134.0
[M+H-H2O]+ 132.098870 123.2
[M+HCOO]- 194.099811 148.6
[M+CH3COO]- 208.115461 176.6
[M+Na-2H]- 170.076276 134.2
[M]+ 149.10106142 120.9
[M]- 149.10215858 120.9
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