CID 1712397

2-bromobenzo[c]phenanthrene

Structural Information

Molecular Formula
C18H11Br
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C=CC(=C4)Br
InChI
InChI=1S/C18H11Br/c19-15-10-9-13-6-8-14-7-5-12-3-1-2-4-16(12)18(14)17(13)11-15/h1-11H
InChIKey
QGFYLLMPQWHQLS-UHFFFAOYSA-N
Compound name
2-bromobenzo[c]phenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

306.00443 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01171 163.5
[M+Na]+ 328.99365 176.9
[M-H]- 304.99715 172.7
[M+NH4]+ 324.03825 185.2
[M+K]+ 344.96759 163.9
[M+H-H2O]+ 289.00169 162.8
[M+HCOO]- 351.00263 183.1
[M+CH3COO]- 365.01828 178.1
[M+Na-2H]- 326.97910 174.7
[M]+ 306.00388 183.2
[M]- 306.00498 183.2
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