CID 12382119

3-bromo-1-(4-bromophenyl)propan-1-one

Structural Information

Molecular Formula
C9H8Br2O
SMILES
C1=CC(=CC=C1C(=O)CCBr)Br
InChI
InChI=1S/C9H8Br2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2
InChIKey
YINLPKSWWRJXJH-UHFFFAOYSA-N
Compound name
3-bromo-1-(4-bromophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
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

literature stripe

Patent stripe

patents stripe