CID 75840

1,4-benzenediol, 2,3,5,6-tetrabromo-

Structural Information

Molecular Formula
C6H2Br4O2
SMILES
C1(=C(C(=C(C(=C1Br)Br)O)Br)Br)O
InChI
InChI=1S/C6H2Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H
InChIKey
DTFQULSULHRJOA-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrabromobenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3431
Patents

421.67883 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.68611 145.4
[M+Na]+ 444.66805 152.0
[M-H]- 420.67155 148.8
[M+NH4]+ 439.71265 155.6
[M+K]+ 460.64199 138.5
[M+H-H2O]+ 404.67609 163.1
[M+HCOO]- 466.67703 150.6
[M+CH3COO]- 480.69268 233.4
[M+Na-2H]- 442.65350 147.9
[M]+ 421.67828 183.4
[M]- 421.67938 183.4
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