CID 81224

(1-bromocyclopentyl)(2-chlorophenyl)methanone

Structural Information

Molecular Formula
C12H12BrClO
SMILES
C1CCC(C1)(C(=O)C2=CC=CC=C2Cl)Br
InChI
InChI=1S/C12H12BrClO/c13-12(7-3-4-8-12)11(15)9-5-1-2-6-10(9)14/h1-2,5-6H,3-4,7-8H2
InChIKey
DDVNLGGCSRULIL-UHFFFAOYSA-N
Compound name
(1-bromocyclopentyl)-(2-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

285.976 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.98328 157.4
[M+Na]+ 308.96522 169.0
[M-H]- 284.96872 166.5
[M+NH4]+ 304.00982 181.1
[M+K]+ 324.93916 156.2
[M+H-H2O]+ 268.97326 158.9
[M+HCOO]- 330.97420 173.2
[M+CH3COO]- 344.98985 192.9
[M+Na-2H]- 306.95067 161.7
[M]+ 285.97545 175.4
[M]- 285.97655 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe