CID 11852

Pentabromophenol

Structural Information

Molecular Formula
C6HBr5O
SMILES
C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)O
InChI
InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey
SVHOVVJFOWGYJO-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentabromophenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

36
References

2610
Patents

483.59442 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.60170 161.0
[M+Na]+ 506.58364 168.5
[M-H]- 482.58714 164.5
[M+NH4]+ 501.62824 168.6
[M+K]+ 522.55758 157.0
[M+H-H2O]+ 466.59168 178.3
[M+HCOO]- 528.59262 164.5
[M+CH3COO]- 542.60827 244.3
[M+Na-2H]- 504.56909 161.5
[M]+ 483.59387 191.3
[M]- 483.59497 191.3
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