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

20
Patents

229.99425 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00153 138.8
[M+Na]+ 252.98347 151.8
[M-H]- 228.98697 145.8
[M+NH4]+ 248.02807 161.2
[M+K]+ 268.95741 142.0
[M+H-H2O]+ 212.99151 139.2
[M+HCOO]- 274.99245 161.1
[M+CH3COO]- 289.00810 188.9
[M+Na-2H]- 250.96892 146.0
[M]+ 229.99370 161.0
[M]- 229.99480 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