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

105
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 140.0
[M+Na]+ 276.87930 146.6
[M+NH4]+ 271.92390 146.3
[M+K]+ 292.85324 144.6
[M-H]- 252.88280 141.3
[M+Na-2H]- 274.86475 144.8
[M]+ 253.88953 140.9
[M]- 253.89063 140.9
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