CID 181170

Phenol, dibromodimethyl-

Structural Information

Molecular Formula
C8H8Br2O
SMILES
CC1=C(C(=C(C=C1O)Br)Br)C
InChI
InChI=1S/C8H8Br2O/c1-4-5(2)8(10)6(9)3-7(4)11/h3,11H,1-2H3
InChIKey
QBLMLJCRVDLFNM-UHFFFAOYSA-N
Compound name
4,5-dibromo-2,3-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

277.8942 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.901476 135.6
[M+Na]+ 300.883418 148.0
[M-H]- 276.886924 142.1
[M+NH4]+ 295.928023 155.5
[M+K]+ 316.857358 132.2
[M+H-H2O]+ 260.891460 144.0
[M+HCOO]- 322.892401 151.3
[M+CH3COO]- 336.908051 200.7
[M+Na-2H]- 298.868866 141.9
[M]+ 277.89365142 169.7
[M]- 277.89474858 169.7
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