CID 12226207

4-(9h-fluoren-3-yl)-4-oxobutanoic acid

Structural Information

Molecular Formula
C17H14O3
SMILES
C1C2=C(C=C(C=C2)C(=O)CCC(=O)O)C3=CC=CC=C31
InChI
InChI=1S/C17H14O3/c18-16(7-8-17(19)20)13-6-5-12-9-11-3-1-2-4-14(11)15(12)10-13/h1-6,10H,7-9H2,(H,19,20)
InChIKey
HGYVIOZQAFDSKF-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-3-yl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.101576 160.3
[M+Na]+ 289.083518 168.0
[M-H]- 265.087024 164.5
[M+NH4]+ 284.128123 179.8
[M+K]+ 305.057458 163.4
[M+H-H2O]+ 249.091560 154.4
[M+HCOO]- 311.092501 180.0
[M+CH3COO]- 325.108151 196.4
[M+Na-2H]- 287.068966 163.6
[M]+ 266.09375142 161.8
[M]- 266.09484858 161.8
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.