CID 117535810

1-bromo-1-(2-bromophenyl)propan-2-one

Structural Information

Molecular Formula
C9H8Br2O
SMILES
CC(=O)C(C1=CC=CC=C1Br)Br
InChI
InChI=1S/C9H8Br2O/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-5,9H,1H3
InChIKey
OEYYUPATHDKOPH-UHFFFAOYSA-N
Compound name
1-bromo-1-(2-bromophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.8942 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.90148 141.4
[M+Na]+ 312.88342 151.7
[M-H]- 288.88692 148.2
[M+NH4]+ 307.92802 160.8
[M+K]+ 328.85736 136.8
[M+H-H2O]+ 272.89146 149.6
[M+HCOO]- 334.89240 156.7
[M+CH3COO]- 348.90805 203.0
[M+Na-2H]- 310.86887 147.3
[M]+ 289.89365 175.1
[M]- 289.89475 175.1
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.