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

2
Patents

289.8942 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.901476 140.4
[M+Na]+ 312.883418 150.9
[M-H]- 288.886924 147.1
[M+NH4]+ 307.928023 159.8
[M+K]+ 328.857358 135.7
[M+H-H2O]+ 272.891460 148.6
[M+HCOO]- 334.892401 156.5
[M+CH3COO]- 348.908051 202.3
[M+Na-2H]- 310.868866 147.3
[M]+ 289.89365142 174.6
[M]- 289.89474858 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