CID 16122224

2,7-dibromotriphenylene

Structural Information

Molecular Formula
C18H10Br2
SMILES
C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br
InChI
InChI=1S/C18H10Br2/c19-11-5-7-15-16-8-6-12(20)10-18(16)14-4-2-1-3-13(14)17(15)9-11/h1-10H
InChIKey
BPGPBYGXGRDFQG-UHFFFAOYSA-N
Compound name
2,7-dibromotriphenylene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

383.91492 Da
Monoisotopic Mass

6.3
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

No literature data available for this compound.

Patent stripe

patents stripe