CID 138512

2,4-dibromo-5-methoxytoluene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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

literature stripe

Patent stripe

patents stripe