CID 2752599

4-bromo-2,3-dimethylanisole

Structural Information

Molecular Formula
C9H11BrO
SMILES
CC1=C(C=CC(=C1C)Br)OC
InChI
InChI=1S/C9H11BrO/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5H,1-3H3
InChIKey
WOWNZZYJCUUIFC-UHFFFAOYSA-N
Compound name
1-bromo-4-methoxy-2,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

213.99933 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 135.8
[M+Na]+ 236.98855 149.0
[M-H]- 212.99205 142.9
[M+NH4]+ 232.03315 158.9
[M+K]+ 252.96249 138.7
[M+H-H2O]+ 196.99659 136.6
[M+HCOO]- 258.99753 158.0
[M+CH3COO]- 273.01318 187.1
[M+Na-2H]- 234.97400 143.1
[M]+ 213.99878 156.7
[M]- 213.99988 156.7
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