CID 3643267

96214-14-1

Structural Information

Molecular Formula
C21H14O2
SMILES
C1=CC=C(C(=C1)C=C2C3=CC=CC=C3C4=CC=CC=C42)C(=O)O
InChI
InChI=1S/C21H14O2/c22-21(23)15-8-2-1-7-14(15)13-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h1-13H,(H,22,23)
InChIKey
KHAKIUANPMTDEA-UHFFFAOYSA-N
Compound name
2-(fluoren-9-ylidenemethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

298.09937 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10665 169.5
[M+Na]+ 321.08859 178.1
[M-H]- 297.09209 177.1
[M+NH4]+ 316.13319 187.6
[M+K]+ 337.06253 171.1
[M+H-H2O]+ 281.09663 162.2
[M+HCOO]- 343.09757 190.0
[M+CH3COO]- 357.11322 181.2
[M+Na-2H]- 319.07404 173.1
[M]+ 298.09882 169.2
[M]- 298.09992 169.2
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