CID 53217080

2-bromo-1-chloro-4-(cyclopropylcarbonyl)benzene

Structural Information

Molecular Formula
C10H8BrClO
SMILES
C1CC1C(=O)C2=CC(=C(C=C2)Cl)Br
InChI
InChI=1S/C10H8BrClO/c11-8-5-7(3-4-9(8)12)10(13)6-1-2-6/h3-6H,1-2H2
InChIKey
KYWLRCNRAPNWNL-UHFFFAOYSA-N
Compound name
(3-bromo-4-chlorophenyl)-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.9447 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.95198 142.7
[M+Na]+ 280.93392 157.1
[M-H]- 256.93742 152.8
[M+NH4]+ 275.97852 159.9
[M+K]+ 296.90786 144.2
[M+H-H2O]+ 240.94196 143.1
[M+HCOO]- 302.94290 160.2
[M+CH3COO]- 316.95855 193.7
[M+Na-2H]- 278.91937 149.0
[M]+ 257.94415 164.3
[M]- 257.94525 164.3
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.