CID 23247371

179897-95-1

Structural Information

Molecular Formula
C8H8BrClO
SMILES
CC1=CC(=C(C=C1Br)Cl)OC
InChI
InChI=1S/C8H8BrClO/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,1-2H3
InChIKey
ZSQSJXNQJJOEPA-UHFFFAOYSA-N
Compound name
1-bromo-5-chloro-4-methoxy-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

233.94472 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95200 137.8
[M+Na]+ 256.93394 143.7
[M+NH4]+ 251.97854 143.9
[M+K]+ 272.90788 142.3
[M-H]- 232.93744 139.3
[M+Na-2H]- 254.91939 142.5
[M]+ 233.94417 138.3
[M]- 233.94527 138.3
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