CID 22327474

1-(bromomethyl)-4-chloro-2-methoxybenzene

Structural Information

Molecular Formula
C8H8BrClO
SMILES
COC1=C(C=CC(=C1)Cl)CBr
InChI
InChI=1S/C8H8BrClO/c1-11-8-4-7(10)3-2-6(8)5-9/h2-4H,5H2,1H3
InChIKey
WQIRCKXHQCBEKU-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-chloro-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

233.94472 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95200 138.4
[M+Na]+ 256.93394 143.9
[M+NH4]+ 251.97854 144.5
[M+K]+ 272.90788 142.4
[M-H]- 232.93744 139.8
[M+Na-2H]- 254.91939 143.2
[M]+ 233.94417 138.8
[M]- 233.94527 138.8
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