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

6
Patents

271.96036 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.96764 146.7
[M+Na]+ 294.94958 160.6
[M-H]- 270.95308 156.8
[M+NH4]+ 289.99418 164.9
[M+K]+ 310.92352 148.4
[M+H-H2O]+ 254.95762 148.0
[M+HCOO]- 316.95856 163.8
[M+CH3COO]- 330.97421 195.0
[M+Na-2H]- 292.93503 154.2
[M]+ 271.95981 168.9
[M]- 271.96091 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