CID 84513

3,5-dibromo-4-methylanisole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

277.8942 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.901476 134.9
[M+Na]+ 300.883418 147.2
[M-H]- 276.886924 142.3
[M+NH4]+ 295.928023 155.3
[M+K]+ 316.857358 132.3
[M+H-H2O]+ 260.891460 143.4
[M+HCOO]- 322.892401 151.9
[M+CH3COO]- 336.908051 201.8
[M+Na-2H]- 298.868866 142.4
[M]+ 277.89365142 170.4
[M]- 277.89474858 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