CID 17087326

1-bromo-3,5-dichloro-2-methoxybenzene

Structural Information

Molecular Formula
C7H5BrCl2O
SMILES
COC1=C(C=C(C=C1Br)Cl)Cl
InChI
InChI=1S/C7H5BrCl2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3
InChIKey
OEYKUHBCPJRXGZ-UHFFFAOYSA-N
Compound name
1-bromo-3,5-dichloro-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

253.89008 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.89736 136.3
[M+Na]+ 276.87930 151.8
[M-H]- 252.88280 142.8
[M+NH4]+ 271.92390 159.1
[M+K]+ 292.85324 138.4
[M+H-H2O]+ 236.88734 138.8
[M+HCOO]- 298.88828 149.9
[M+CH3COO]- 312.90393 189.5
[M+Na-2H]- 274.86475 143.7
[M]+ 253.88953 158.9
[M]- 253.89063 158.9
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