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 139.1
[M+Na]+ 314.89907 151.0
[M-H]- 290.90257 146.3
[M+NH4]+ 309.94367 159.1
[M+K]+ 330.87301 135.9
[M+H-H2O]+ 274.90711 147.4
[M+HCOO]- 336.90805 155.8
[M+CH3COO]- 350.92370 204.1
[M+Na-2H]- 312.88452 146.1
[M]+ 291.90930 174.8
[M]- 291.91040 174.8
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