CID 13529961

2-bromo-1,3-dimethoxy-5-methylbenzene

Structural Information

Molecular Formula
C9H11BrO2
SMILES
CC1=CC(=C(C(=C1)OC)Br)OC
InChI
InChI=1S/C9H11BrO2/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5H,1-3H3
InChIKey
OQZULPTUCIDLJI-UHFFFAOYSA-N
Compound name
2-bromo-1,3-dimethoxy-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

229.99425 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.001526 138.8
[M+Na]+ 252.983468 151.8
[M-H]- 228.986974 145.8
[M+NH4]+ 248.028073 161.2
[M+K]+ 268.957408 142.0
[M+H-H2O]+ 212.991510 139.2
[M+HCOO]- 274.992451 161.1
[M+CH3COO]- 289.008101 188.9
[M+Na-2H]- 250.968916 146.0
[M]+ 229.99370142 161.0
[M]- 229.99479858 161.0
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