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

213
Patents

241.99425 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 141.5
[M+Na]+ 264.98347 144.6
[M+NH4]+ 260.02807 146.1
[M+K]+ 280.95741 145.2
[M-H]- 240.98697 141.7
[M+Na-2H]- 262.96892 144.9
[M]+ 241.99370 140.8
[M]- 241.99480 140.8
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

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