CID 130960873

1805227-18-2

Structural Information

Molecular Formula
C9H7BrClFO
SMILES
CC1=CC(=C(C=C1C(=O)CBr)Cl)F
InChI
InChI=1S/C9H7BrClFO/c1-5-2-8(12)7(11)3-6(5)9(13)4-10/h2-3H,4H2,1H3
InChIKey
UAOAQSUJTXADSK-UHFFFAOYSA-N
Compound name
2-bromo-1-(5-chloro-4-fluoro-2-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.93527 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.94255 143.1
[M+Na]+ 286.92449 157.4
[M-H]- 262.92799 148.8
[M+NH4]+ 281.96909 165.0
[M+K]+ 302.89843 144.3
[M+H-H2O]+ 246.93253 143.8
[M+HCOO]- 308.93347 159.2
[M+CH3COO]- 322.94912 193.1
[M+Na-2H]- 284.90994 148.3
[M]+ 263.93472 163.5
[M]- 263.93582 163.5
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.