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

1
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 167.5
[M+Na]+ 311.10424 176.0
[M-H]- 287.10774 172.0
[M+NH4]+ 306.14884 187.5
[M+K]+ 327.07818 169.7
[M+H-H2O]+ 271.11228 160.8
[M+HCOO]- 333.11322 186.4
[M+CH3COO]- 347.12887 179.1
[M+Na-2H]- 309.08969 172.6
[M]+ 288.11447 170.7
[M]- 288.11557 170.7
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

patents stripe