CID 81718590

1-bromo-2-chloro-3,5-dimethoxybenzene

Structural Information

Molecular Formula
C8H8BrClO2
SMILES
COC1=CC(=C(C(=C1)Br)Cl)OC
InChI
InChI=1S/C8H8BrClO2/c1-11-5-3-6(9)8(10)7(4-5)12-2/h3-4H,1-2H3
InChIKey
DDWCSARAFAAXOC-UHFFFAOYSA-N
Compound name
1-bromo-2-chloro-3,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.93962 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.94690 138.9
[M+Na]+ 272.92884 153.4
[M-H]- 248.93234 146.0
[M+NH4]+ 267.97344 161.5
[M+K]+ 288.90278 141.7
[M+H-H2O]+ 232.93688 140.4
[M+HCOO]- 294.93782 157.3
[M+CH3COO]- 308.95347 189.7
[M+Na-2H]- 270.91429 146.4
[M]+ 249.93907 162.6
[M]- 249.94017 162.6
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

No patent data available for this compound.