CID 242399

2-bromo-6-phenylphenanthridine

Structural Information

Molecular Formula
C19H12BrN
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C4=CC=CC=C42
InChI
InChI=1S/C19H12BrN/c20-14-10-11-18-17(12-14)15-8-4-5-9-16(15)19(21-18)13-6-2-1-3-7-13/h1-12H
InChIKey
KYHWYUDFAZLSKD-UHFFFAOYSA-N
Compound name
2-bromo-6-phenylphenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

333.01532 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.02260 170.8
[M+Na]+ 356.00454 183.8
[M-H]- 332.00804 180.6
[M+NH4]+ 351.04914 188.9
[M+K]+ 371.97848 170.4
[M+H-H2O]+ 316.01258 168.9
[M+HCOO]- 378.01352 190.4
[M+CH3COO]- 392.02917 184.6
[M+Na-2H]- 353.98999 181.1
[M]+ 333.01477 190.2
[M]- 333.01587 190.2
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