CID 17984845

174913-09-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

387
Patents

219.92906 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.93634 132.4
[M+Na]+ 242.91828 146.6
[M-H]- 218.92178 139.3
[M+NH4]+ 237.96288 155.9
[M+K]+ 258.89222 134.6
[M+H-H2O]+ 202.92632 134.1
[M+HCOO]- 264.92726 150.9
[M+CH3COO]- 278.94291 184.0
[M+Na-2H]- 240.90373 141.0
[M]+ 219.92851 154.0
[M]- 219.92961 154.1
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