CID 255029

6-fluorochrysene

Structural Information

Molecular Formula
C18H11F
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)F
InChI
InChI=1S/C18H11F/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H
InChIKey
JBHMYABKQWIXDE-UHFFFAOYSA-N
Compound name
6-fluorochrysene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

246.08447 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.091746 151.4
[M+Na]+ 269.073688 162.9
[M-H]- 245.077194 157.1
[M+NH4]+ 264.118293 172.0
[M+K]+ 285.047628 155.8
[M+H-H2O]+ 229.081730 142.8
[M+HCOO]- 291.082671 172.5
[M+CH3COO]- 305.098321 164.7
[M+Na-2H]- 267.059136 162.1
[M]+ 246.08392142 151.9
[M]- 246.08501858 151.9
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