CID 11470370

320407-92-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

233.94472 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.951996 137.1
[M+Na]+ 256.933938 150.9
[M-H]- 232.937444 143.9
[M+NH4]+ 251.978543 160.1
[M+K]+ 272.907878 138.7
[M+H-H2O]+ 216.941980 138.7
[M+HCOO]- 278.942921 155.3
[M+CH3COO]- 292.958571 186.8
[M+Na-2H]- 254.919386 145.2
[M]+ 233.94417142 159.1
[M]- 233.94526858 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

literature stripe

Patent stripe

patents stripe