CID 21949840

1-bromo-3-chloro-5-methoxybenzene

Structural Information

Molecular Formula
C7H6BrClO
SMILES
COC1=CC(=CC(=C1)Br)Cl
InChI
InChI=1S/C7H6BrClO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKey
VOGGSKPTKSAXHR-UHFFFAOYSA-N
Compound name
1-bromo-3-chloro-5-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

219.92906 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.93634 133.8
[M+Na]+ 242.91828 139.5
[M+NH4]+ 237.96288 140.1
[M+K]+ 258.89222 138.2
[M-H]- 218.92178 135.2
[M+Na-2H]- 240.90373 138.9
[M]+ 219.92851 134.2
[M]- 219.92961 134.2
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