CID 299102

2-bromo-1-(4-methoxyphenyl)propan-1-one

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CC(C(=O)C1=CC=C(C=C1)OC)Br
InChI
InChI=1S/C10H11BrO2/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3
InChIKey
QNCDPGOJVGDTAN-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

241.99425 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.001526 144.5
[M+Na]+ 264.983468 155.2
[M-H]- 240.986974 150.8
[M+NH4]+ 260.028073 165.6
[M+K]+ 280.957408 145.3
[M+H-H2O]+ 224.991510 144.5
[M+HCOO]- 286.992451 164.8
[M+CH3COO]- 301.008101 190.4
[M+Na-2H]- 262.968916 150.0
[M]+ 241.99370142 164.5
[M]- 241.99479858 164.5
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