CID 393211

Nsc694699

Structural Information

Molecular Formula
C20H14Br4
SMILES
C1=CC(=C2C3=C1C=CC(=C3C4=C(C=CC(=C24)CBr)CBr)CBr)CBr
InChI
InChI=1S/C20H14Br4/c21-7-12-3-1-11-2-4-13(8-22)18-16(11)17(12)19-14(9-23)5-6-15(10-24)20(18)19/h1-6H,7-10H2
InChIKey
PVKVEHGRZZEVOC-UHFFFAOYSA-N
Compound name
1,6,7,10-tetrakis(bromomethyl)fluoranthene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.7829 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.79018 169.8
[M+Na]+ 592.77212 175.4
[M-H]- 568.77562 174.4
[M+NH4]+ 587.81672 180.0
[M+K]+ 608.74606 164.3
[M+H-H2O]+ 552.78016 188.2
[M+HCOO]- 614.78110 174.4
[M+CH3COO]- 628.79675 176.4
[M+Na-2H]- 590.75757 171.1
[M]+ 569.78235 209.1
[M]- 569.78345 209.1
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

No patent data available for this compound.