CID 67453

Dibenzo(c,mno)chrysene

Structural Information

Molecular Formula
C24H14
SMILES
C1=CC=C2C(=C1)C=CC3=CC4=C5C(=C32)C=CC6=CC=CC(=C65)C=C4
InChI
InChI=1S/C24H14/c1-2-7-20-15(4-1)8-10-18-14-19-11-9-16-5-3-6-17-12-13-21(23(18)20)24(19)22(16)17/h1-14H
InChIKey
ANKRFBWKEPAECS-UHFFFAOYSA-N
Compound name
hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16(24),17,19,21-dodecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

302.10956 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.116836 168.3
[M+Na]+ 325.098778 179.2
[M-H]- 301.102284 175.4
[M+NH4]+ 320.143383 188.0
[M+K]+ 341.072718 170.6
[M+H-H2O]+ 285.106820 157.7
[M+HCOO]- 347.107761 186.9
[M+CH3COO]- 361.123411 180.1
[M+Na-2H]- 323.084226 181.1
[M]+ 302.10901142 172.0
[M]- 302.11010858 172.0
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