CID 18699271

1-(3-bromo-4-methoxyphenyl)propan-2-one

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CC(=O)CC1=CC(=C(C=C1)OC)Br
InChI
InChI=1S/C10H11BrO2/c1-7(12)5-8-3-4-10(13-2)9(11)6-8/h3-4,6H,5H2,1-2H3
InChIKey
FUXDJXNPHSHGKZ-UHFFFAOYSA-N
Compound name
1-(3-bromo-4-methoxyphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

241.99425 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.001526 143.1
[M+Na]+ 264.983468 154.9
[M-H]- 240.986974 149.7
[M+NH4]+ 260.028073 164.6
[M+K]+ 280.957408 144.6
[M+H-H2O]+ 224.991510 143.3
[M+HCOO]- 286.992451 164.4
[M+CH3COO]- 301.008101 190.6
[M+Na-2H]- 262.968916 149.2
[M]+ 241.99370142 164.1
[M]- 241.99479858 164.1
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

patents stripe