CID 3024641

Cyclohexanone, 2-amino-2-(4-bromophenyl)-, hydrochloride

Structural Information

Molecular Formula
C12H14BrNO
SMILES
C1CCC(C(=O)C1)(C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C12H14BrNO/c13-10-6-4-9(5-7-10)12(14)8-2-1-3-11(12)15/h4-7H,1-3,8,14H2
InChIKey
CPNHQDBBJKLYQL-UHFFFAOYSA-N
Compound name
2-amino-2-(4-bromophenyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02588 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03316 152.3
[M+Na]+ 290.01510 161.8
[M-H]- 266.01860 160.6
[M+NH4]+ 285.05970 173.6
[M+K]+ 305.98904 150.1
[M+H-H2O]+ 250.02314 152.1
[M+HCOO]- 312.02408 171.4
[M+CH3COO]- 326.03973 193.9
[M+Na-2H]- 288.00055 158.2
[M]+ 267.02533 165.6
[M]- 267.02643 165.6
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.