CID 11854

Pentabromobenzene

Structural Information

Molecular Formula
C6HBr5
SMILES
C1=C(C(=C(C(=C1Br)Br)Br)Br)Br
InChI
InChI=1S/C6HBr5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey
LLVVSBBXENOOQY-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2626
Patents

467.59952 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.60680 159.7
[M+Na]+ 490.58874 167.4
[M-H]- 466.59224 163.5
[M+NH4]+ 485.63334 167.6
[M+K]+ 506.56268 156.0
[M+H-H2O]+ 450.59678 177.3
[M+HCOO]- 512.59772 163.6
[M+CH3COO]- 526.61337 244.2
[M+Na-2H]- 488.57419 160.5
[M]+ 467.59897 190.2
[M]- 467.60007 190.2
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