CID 146998

1-methylfluoranthene

Structural Information

Molecular Formula
C17H12
SMILES
CC1=C2C3=CC=CC=C3C4=CC=CC(=C42)C=C1
InChI
InChI=1S/C17H12/c1-11-9-10-12-5-4-8-15-13-6-2-3-7-14(13)16(11)17(12)15/h2-10H,1H3
InChIKey
XTJQJDCUHJRGCX-UHFFFAOYSA-N
Compound name
1-methylfluoranthene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
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