CID 86208473

Pbde 174

Structural Information

Molecular Formula
C12H3Br7O
SMILES
C1=CC(=C(C(=C1Br)OC2=CC(=C(C(=C2Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C12H3Br7O/c13-4-1-2-5(14)12(9(4)17)20-7-3-6(15)8(16)11(19)10(7)18/h1-3H
InChIKey
VUUWOHUOYUGBEO-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrabromo-5-(2,3,6-tribromophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

715.4468 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 716.454076 183.3
[M+Na]+ 738.436018 194.1
[M-H]- 714.439524 187.3
[M+NH4]+ 733.480623 188.1
[M+K]+ 754.409958 184.4
[M+H-H2O]+ 698.444060 193.1
[M+HCOO]- 760.445001 185.7
[M+CH3COO]- 774.460651 253.3
[M+Na-2H]- 736.421466 180.9
[M]+ 715.44625142 196.3
[M]- 715.44734858 196.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.