CID 106325

67990-30-1

Structural Information

Molecular Formula
C8H8Br2O
SMILES
CC1=CC(=CC(=C1Br)OC)Br
InChI
InChI=1S/C8H8Br2O/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3
InChIKey
KAZLSZRLSZFBIF-UHFFFAOYSA-N
Compound name
2,5-dibromo-1-methoxy-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

277.8942 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.90148 134.9
[M+Na]+ 300.88342 147.2
[M-H]- 276.88692 142.3
[M+NH4]+ 295.92802 155.3
[M+K]+ 316.85736 132.3
[M+H-H2O]+ 260.89146 143.4
[M+HCOO]- 322.89240 151.9
[M+CH3COO]- 336.90805 201.8
[M+Na-2H]- 298.86887 142.4
[M]+ 277.89365 170.4
[M]- 277.89475 170.4
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.