CID 96792

4425-73-4

Structural Information

Molecular Formula
C15H10O2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC(=O)O
InChI
InChI=1S/C15H10O2/c16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-9H,(H,16,17)
InChIKey
TUWTVRGEVPWFIX-UHFFFAOYSA-N
Compound name
2-fluoren-9-ylideneacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

222.06808 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.075356 147.5
[M+Na]+ 245.057298 156.8
[M-H]- 221.060804 152.1
[M+NH4]+ 240.101903 169.1
[M+K]+ 261.031238 151.5
[M+H-H2O]+ 205.065340 142.1
[M+HCOO]- 267.066281 168.9
[M+CH3COO]- 281.081931 160.7
[M+Na-2H]- 243.042746 153.1
[M]+ 222.06753142 147.5
[M]- 222.06862858 147.5
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

patents stripe