CID 26665

2,3,4,6-tetrabromophenol

Structural Information

Molecular Formula
C6H2Br4O
SMILES
C1=C(C(=C(C(=C1Br)Br)Br)O)Br
InChI
InChI=1S/C6H2Br4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
InChIKey
CXPJZISGVIVNEL-UHFFFAOYSA-N
Compound name
2,3,4,6-tetrabromophenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

405.6839 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.69118 143.7
[M+Na]+ 428.67312 150.6
[M-H]- 404.67662 147.7
[M+NH4]+ 423.71772 154.5
[M+K]+ 444.64706 137.3
[M+H-H2O]+ 388.68116 161.9
[M+HCOO]- 450.68210 149.6
[M+CH3COO]- 464.69775 233.1
[M+Na-2H]- 426.65857 146.9
[M]+ 405.68335 182.0
[M]- 405.68445 182.0
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