CID 156645

Benz(a)anthracene, 1,2-dimethyl-

Structural Information

Molecular Formula
C20H16
SMILES
CC1=C(C2=C(C=C1)C=CC3=CC4=CC=CC=C4C=C32)C
InChI
InChI=1S/C20H16/c1-13-7-8-15-9-10-18-11-16-5-3-4-6-17(16)12-19(18)20(15)14(13)2/h3-12H,1-2H3
InChIKey
YQRNVIBATHFHCC-UHFFFAOYSA-N
Compound name
1,2-dimethylbenzo[a]anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

60
References

1669
Patents

256.1252 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.132476 157.8
[M+Na]+ 279.114418 169.1
[M-H]- 255.117924 164.9
[M+NH4]+ 274.159023 178.3
[M+K]+ 295.088358 162.2
[M+H-H2O]+ 239.122460 149.9
[M+HCOO]- 301.123401 179.1
[M+CH3COO]- 315.139051 171.1
[M+Na-2H]- 277.099866 167.2
[M]+ 256.12465142 160.2
[M]- 256.12574858 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