CID 117432908

1-(4-bromo-3-fluorophenyl)cyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H15BrFN
SMILES
C1CCC(CC1)(C2=CC(=C(C=C2)Br)F)N
InChI
InChI=1S/C12H15BrFN/c13-10-5-4-9(8-11(10)14)12(15)6-2-1-3-7-12/h4-5,8H,1-3,6-7,15H2
InChIKey
BNPXPONVGXQFEW-UHFFFAOYSA-N
Compound name
1-(4-bromo-3-fluorophenyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0372 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04448 155.2
[M+Na]+ 294.02642 164.5
[M-H]- 270.02992 162.1
[M+NH4]+ 289.07102 176.3
[M+K]+ 310.00036 152.4
[M+H-H2O]+ 254.03446 154.1
[M+HCOO]- 316.03540 172.9
[M+CH3COO]- 330.05105 195.3
[M+Na-2H]- 292.01187 160.2
[M]+ 271.03665 166.7
[M]- 271.03775 166.7
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.