CID 14339091

2,4-dibromobenzene-1,3,5-triol

Structural Information

Molecular Formula
C6H4Br2O3
SMILES
C1=C(C(=C(C(=C1O)Br)O)Br)O
InChI
InChI=1S/C6H4Br2O3/c7-4-2(9)1-3(10)5(8)6(4)11/h1,9-11H
InChIKey
SNZHHFHFCLIISK-UHFFFAOYSA-N
Compound name
2,4-dibromobenzene-1,3,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

281.85272 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.86000 134.3
[M+Na]+ 304.84194 145.9
[M-H]- 280.84544 138.6
[M+NH4]+ 299.88654 152.6
[M+K]+ 320.81588 129.8
[M+H-H2O]+ 264.84998 142.4
[M+HCOO]- 326.85092 148.2
[M+CH3COO]- 340.86657 195.6
[M+Na-2H]- 302.82739 140.4
[M]+ 281.85217 167.0
[M]- 281.85327 167.0
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