CID 67188

1,3,6,8-tetrabromopyrene

Structural Information

Molecular Formula
C16H6Br4
SMILES
C1=CC2=C3C(=C(C=C2Br)Br)C=CC4=C(C=C(C1=C43)Br)Br
InChI
InChI=1S/C16H6Br4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H
InChIKey
ZKBKRTZIYOKNRG-UHFFFAOYSA-N
Compound name
1,3,6,8-tetrabromopyrene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

422
Patents

513.7203 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.72758 152.8
[M+Na]+ 536.70952 158.6
[M-H]- 512.71302 157.4
[M+NH4]+ 531.75412 163.2
[M+K]+ 552.68346 148.1
[M+H-H2O]+ 496.71756 171.3
[M+HCOO]- 558.71850 157.7
[M+CH3COO]- 572.73415 160.3
[M+Na-2H]- 534.69497 156.8
[M]+ 513.71975 192.1
[M]- 513.72085 192.1
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