CID 57799152

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

Structural Information

Molecular Formula
C7H5BrCl2O
SMILES
COC1=CC(=C(C(=C1)Br)Cl)Cl
InChI
InChI=1S/C7H5BrCl2O/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3
InChIKey
BVZMVWRQCWSDSK-UHFFFAOYSA-N
Compound name
1-bromo-2,3-dichloro-5-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

253.89008 Da
Monoisotopic Mass

3.8
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

No literature data available for this compound.

Patent stripe

patents stripe