CID 87669642

1-[1-(4-bromophenyl)cyclopropyl]-2-chloroethan-1-one

Structural Information

Molecular Formula
C11H10BrClO
SMILES
C1CC1(C2=CC=C(C=C2)Br)C(=O)CCl
InChI
InChI=1S/C11H10BrClO/c12-9-3-1-8(2-4-9)11(5-6-11)10(14)7-13/h1-4H,5-7H2
InChIKey
BYPBKZXNLWJOPZ-UHFFFAOYSA-N
Compound name
1-[1-(4-bromophenyl)cyclopropyl]-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

271.96036 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.967636 146.7
[M+Na]+ 294.949578 160.6
[M-H]- 270.953084 156.8
[M+NH4]+ 289.994183 164.9
[M+K]+ 310.923518 148.4
[M+H-H2O]+ 254.957620 148.0
[M+HCOO]- 316.958561 163.8
[M+CH3COO]- 330.974211 195.0
[M+Na-2H]- 292.935026 154.2
[M]+ 271.95981142 168.9
[M]- 271.96090858 168.9
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