CID 104410

2,3,4,5,6-pentabromostyrene

Structural Information

Molecular Formula
C8H3Br5
SMILES
C=CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
InChI
InChI=1S/C8H3Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H,1H2
InChIKey
BMSUWQXMTMGEOM-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromo-6-ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

493.61517 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.62245 161.7
[M+Na]+ 516.60439 169.5
[M-H]- 492.60789 165.5
[M+NH4]+ 511.64899 169.5
[M+K]+ 532.57833 157.8
[M+H-H2O]+ 476.61243 179.1
[M+HCOO]- 538.61337 165.4
[M+CH3COO]- 552.62902 245.2
[M+Na-2H]- 514.58984 162.1
[M]+ 493.61462 192.2
[M]- 493.61572 192.2
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