CID 10266426

2-bromo-1-(bromomethyl)-5-methoxy-3-methylbenzene

Structural Information

Molecular Formula
C9H10Br2O
SMILES
CC1=CC(=CC(=C1Br)CBr)OC
InChI
InChI=1S/C9H10Br2O/c1-6-3-8(12-2)4-7(5-10)9(6)11/h3-4H,5H2,1-2H3
InChIKey
XBEAMDITEJRHPE-UHFFFAOYSA-N
Compound name
2-bromo-1-(bromomethyl)-5-methoxy-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

291.90985 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.91713 147.2
[M+Na]+ 314.89907 143.1
[M+NH4]+ 309.94367 149.6
[M+K]+ 330.87301 148.9
[M-H]- 290.90257 148.3
[M+Na-2H]- 312.88452 149.1
[M]+ 291.90930 145.9
[M]- 291.91040 145.9
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