CID 3286225

6,12-dibromochrysene

Structural Information

Molecular Formula
C18H10Br2
SMILES
C1=CC=C2C(=C1)C(=CC3=C2C=C(C4=CC=CC=C43)Br)Br
InChI
InChI=1S/C18H10Br2/c19-17-10-16-12-6-2-4-8-14(12)18(20)9-15(16)11-5-1-3-7-13(11)17/h1-10H
InChIKey
RULVBMDEPWAFIN-UHFFFAOYSA-N
Compound name
6,12-dibromochrysene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

294
Patents

383.91492 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.92220 164.9
[M+Na]+ 406.90414 176.7
[M-H]- 382.90764 174.0
[M+NH4]+ 401.94874 183.8
[M+K]+ 422.87808 161.7
[M+H-H2O]+ 366.91218 173.0
[M+HCOO]- 428.91312 179.4
[M+CH3COO]- 442.92877 178.2
[M+Na-2H]- 404.88959 174.0
[M]+ 383.91437 199.8
[M]- 383.91547 199.8
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