CID 20241030

73502-05-3

Structural Information

Molecular Formula
C9H11BrO
SMILES
CC1=C(C=C(C=C1)OC)CBr
InChI
InChI=1S/C9H11BrO/c1-7-3-4-9(11-2)5-8(7)6-10/h3-5H,6H2,1-2H3
InChIKey
JPEOGQYRFFUNJO-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-4-methoxy-1-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

213.99933 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 136.8
[M+Na]+ 236.98855 141.4
[M+NH4]+ 232.03315 142.5
[M+K]+ 252.96249 140.4
[M-H]- 212.99205 138.1
[M+Na-2H]- 234.97400 141.3
[M]+ 213.99878 136.7
[M]- 213.99988 136.7
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