CID 72212770

1-bromo-3-(chloromethyl)-5-methoxybenzene

Structural Information

Molecular Formula
C8H8BrClO
SMILES
COC1=CC(=CC(=C1)CCl)Br
InChI
InChI=1S/C8H8BrClO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,5H2,1H3
InChIKey
ATGXVNISOJUVOH-UHFFFAOYSA-N
Compound name
1-bromo-3-(chloromethyl)-5-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.94472 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95200 137.1
[M+Na]+ 256.93394 150.9
[M-H]- 232.93744 143.9
[M+NH4]+ 251.97854 160.1
[M+K]+ 272.90788 138.7
[M+H-H2O]+ 216.94198 138.7
[M+HCOO]- 278.94292 155.3
[M+CH3COO]- 292.95857 186.8
[M+Na-2H]- 254.91939 145.2
[M]+ 233.94417 159.1
[M]- 233.94527 159.1
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.