CID 81315

3-fluoranthenebutanoic acid

Structural Information

Molecular Formula
C20H16O2
SMILES
C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)CCCC(=O)O
InChI
InChI=1S/C20H16O2/c21-19(22)10-3-5-13-11-12-18-16-7-2-1-6-15(16)17-9-4-8-14(13)20(17)18/h1-2,4,6-9,11-12H,3,5,10H2,(H,21,22)
InChIKey
VUUCGMUWSNNVEC-UHFFFAOYSA-N
Compound name
4-fluoranthen-3-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.11502 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12230 166.2
[M+Na]+ 311.10424 181.1
[M+NH4]+ 306.14884 176.4
[M+K]+ 327.07818 173.7
[M-H]- 287.10774 169.7
[M+Na-2H]- 309.08969 171.3
[M]+ 288.11447 169.5
[M]- 288.11557 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.