CID 6001

7,12-dimethylbenz[a]anthracene

Structural Information

Molecular Formula
C20H16
SMILES
CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C
InChI
InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3
InChIKey
ARSRBNBHOADGJU-UHFFFAOYSA-N
Compound name
7,12-dimethylbenzo[a]anthracene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

6488
References

10006
Patents

256.1252 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13248 157.8
[M+Na]+ 279.11442 169.1
[M-H]- 255.11792 164.9
[M+NH4]+ 274.15902 178.3
[M+K]+ 295.08836 162.2
[M+H-H2O]+ 239.12246 149.9
[M+HCOO]- 301.12340 179.1
[M+CH3COO]- 315.13905 171.1
[M+Na-2H]- 277.09987 167.2
[M]+ 256.12465 160.2
[M]- 256.12575 160.2
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