CID 115027303

4-(4,4-difluorocyclohexyl)aniline

Structural Information

Molecular Formula
C12H15F2N
SMILES
C1CC(CCC1C2=CC=C(C=C2)N)(F)F
InChI
InChI=1S/C12H15F2N/c13-12(14)7-5-10(6-8-12)9-1-3-11(15)4-2-9/h1-4,10H,5-8,15H2
InChIKey
AKTVBQDIOJWQSC-UHFFFAOYSA-N
Compound name
4-(4,4-difluorocyclohexyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11725 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12453 145.4
[M+Na]+ 234.10647 152.0
[M-H]- 210.10997 148.7
[M+NH4]+ 229.15107 165.5
[M+K]+ 250.08041 148.1
[M+H-H2O]+ 194.11451 137.3
[M+HCOO]- 256.11545 164.4
[M+CH3COO]- 270.13110 188.4
[M+Na-2H]- 232.09192 149.1
[M]+ 211.11670 136.6
[M]- 211.11780 136.6
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

No patent data available for this compound.