CID 22358108

62546-51-4

Structural Information

Molecular Formula
C9H8Br2O
SMILES
C1=CC(=CC=C1CBr)C(=O)CBr
InChI
InChI=1S/C9H8Br2O/c10-5-7-1-3-8(4-2-7)9(12)6-11/h1-4H,5-6H2
InChIKey
MMMLMAIKUHFNDM-UHFFFAOYSA-N
Compound name
2-bromo-1-[4-(bromomethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

289.8942 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.90148 140.4
[M+Na]+ 312.88342 150.9
[M-H]- 288.88692 147.1
[M+NH4]+ 307.92802 159.8
[M+K]+ 328.85736 135.7
[M+H-H2O]+ 272.89146 148.6
[M+HCOO]- 334.89240 156.5
[M+CH3COO]- 348.90805 202.3
[M+Na-2H]- 310.86887 147.3
[M]+ 289.89365 174.6
[M]- 289.89475 174.6
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