CID 75951

6-ethylchrysene

Structural Information

Molecular Formula
C20H16
SMILES
CCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41
InChI
InChI=1S/C20H16/c1-2-14-13-20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(14)18/h3-13H,2H2,1H3
InChIKey
ZJSYTTGSPQNXKT-UHFFFAOYSA-N
Compound name
6-ethylchrysene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

256.1252 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.132476 157.5
[M+Na]+ 279.114418 168.0
[M-H]- 255.117924 164.3
[M+NH4]+ 274.159023 177.8
[M+K]+ 295.088358 161.0
[M+H-H2O]+ 239.122460 149.5
[M+HCOO]- 301.123401 179.0
[M+CH3COO]- 315.139051 170.5
[M+Na-2H]- 277.099866 167.7
[M]+ 256.12465142 159.6
[M]- 256.12574858 159.6
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