CID 15565

3-methylfluoranthene

Structural Information

Molecular Formula
C17H12
SMILES
CC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43
InChI
InChI=1S/C17H12/c1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16/h2-10H,1H3
InChIKey
XHJKUHDKEFRGSK-UHFFFAOYSA-N
Compound name
3-methylfluoranthene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

252
Patents

216.0939 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.101176 146.7
[M+Na]+ 239.083118 157.6
[M-H]- 215.086624 153.2
[M+NH4]+ 234.127723 170.9
[M+K]+ 255.057058 151.5
[M+H-H2O]+ 199.091160 140.5
[M+HCOO]- 261.092101 168.9
[M+CH3COO]- 275.107751 160.9
[M+Na-2H]- 237.068566 155.0
[M]+ 216.09335142 149.3
[M]- 216.09444858 149.3
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