CID 131419074

2-(bromomethyl)-1,4-dichloro-3-methoxybenzene

Structural Information

Molecular Formula
C8H7BrCl2O
SMILES
COC1=C(C=CC(=C1CBr)Cl)Cl
InChI
InChI=1S/C8H7BrCl2O/c1-12-8-5(4-9)6(10)2-3-7(8)11/h2-3H,4H2,1H3
InChIKey
YYALTFLNGUSXBW-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,4-dichloro-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.90573 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.91301 141.0
[M+Na]+ 290.89495 156.2
[M-H]- 266.89845 147.4
[M+NH4]+ 285.93955 163.3
[M+K]+ 306.86889 142.5
[M+H-H2O]+ 250.90299 143.3
[M+HCOO]- 312.90393 154.3
[M+CH3COO]- 326.91958 192.2
[M+Na-2H]- 288.88040 147.8
[M]+ 267.90518 163.9
[M]- 267.90628 163.9
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

No patent data available for this compound.