CID 131631743

4-bromo-1-(bromomethyl)-2-ethoxybenzene

Structural Information

Molecular Formula
C9H10Br2O
SMILES
CCOC1=C(C=CC(=C1)Br)CBr
InChI
InChI=1S/C9H10Br2O/c1-2-12-9-5-8(11)4-3-7(9)6-10/h3-5H,2,6H2,1H3
InChIKey
YLMCTHMAEGZNND-UHFFFAOYSA-N
Compound name
4-bromo-1-(bromomethyl)-2-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 140.0
[M+Na]+ 314.89907 151.2
[M-H]- 290.90257 146.9
[M+NH4]+ 309.94367 159.7
[M+K]+ 330.87301 136.1
[M+H-H2O]+ 274.90711 148.2
[M+HCOO]- 336.90805 156.7
[M+CH3COO]- 350.92370 203.2
[M+Na-2H]- 312.88452 147.4
[M]+ 291.90930 175.4
[M]- 291.91040 175.4
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

No patent data available for this compound.