CID 3048794

P-bi-o-cresol, tribromo-

Structural Information

Molecular Formula
C14H11Br3O2
SMILES
CC1=C(C=CC(=C1)C2=C(C(=C(C(=C2Br)Br)O)C)Br)O
InChI
InChI=1S/C14H11Br3O2/c1-6-5-8(3-4-9(6)18)10-11(15)7(2)14(19)13(17)12(10)16/h3-5,18-19H,1-2H3
InChIKey
IJZLBAOEVHTLCZ-UHFFFAOYSA-N
Compound name
2,3,5-tribromo-4-(4-hydroxy-3-methylphenyl)-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.83093 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.83821 165.1
[M+Na]+ 470.82015 158.6
[M+NH4]+ 465.86475 166.0
[M+K]+ 486.79409 166.5
[M-H]- 446.82365 167.3
[M+Na-2H]- 468.80560 166.1
[M]+ 447.83038 164.7
[M]- 447.83148 164.7
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

No patent data available for this compound.