CID 17094

2,4,6-tribromoresorcinol

Structural Information

Molecular Formula
C6H3Br3O2
SMILES
C1=C(C(=C(C(=C1Br)O)Br)O)Br
InChI
InChI=1S/C6H3Br3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H
InChIKey
YADZSMVDNYXOOB-UHFFFAOYSA-N
Compound name
2,4,6-tribromobenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

347
Patents

343.7683 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.77558 135.1
[M+Na]+ 366.75752 143.7
[M-H]- 342.76102 139.6
[M+NH4]+ 361.80212 149.7
[M+K]+ 382.73146 128.0
[M+H-H2O]+ 326.76556 149.8
[M+HCOO]- 388.76650 144.5
[M+CH3COO]- 402.78215 216.2
[M+Na-2H]- 364.74297 140.2
[M]+ 343.76775 175.2
[M]- 343.76885 175.2
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