CID 71369106

66728-55-0

Structural Information

Molecular Formula
C12H8BrClO
SMILES
C1=CC=C2C(=C1)C(=CC=C2Cl)C(=O)CBr
InChI
InChI=1S/C12H8BrClO/c13-7-12(15)10-5-6-11(14)9-4-2-1-3-8(9)10/h1-6H,7H2
InChIKey
MKKGAEKLTOUYOP-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-chloronaphthalen-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.9447 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.95198 150.7
[M+Na]+ 304.93392 164.0
[M-H]- 280.93742 158.0
[M+NH4]+ 299.97852 172.5
[M+K]+ 320.90786 150.7
[M+H-H2O]+ 264.94196 151.9
[M+HCOO]- 326.94290 166.7
[M+CH3COO]- 340.95855 195.5
[M+Na-2H]- 302.91937 158.4
[M]+ 281.94415 171.9
[M]- 281.94525 171.9
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

No patent data available for this compound.