CID 66910017

9-(hydroxymethyl)-9h-fluorene-2,7-dicarboxylic acid

Structural Information

Molecular Formula
C16H12O5
SMILES
C1=CC2=C(C=C1C(=O)O)C(C3=C2C=CC(=C3)C(=O)O)CO
InChI
InChI=1S/C16H12O5/c17-7-14-12-5-8(15(18)19)1-3-10(12)11-4-2-9(16(20)21)6-13(11)14/h1-6,14,17H,7H2,(H,18,19)(H,20,21)
InChIKey
AVFXECNNRHGJSC-UHFFFAOYSA-N
Compound name
9-(hydroxymethyl)-9H-fluorene-2,7-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

284.06848 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.075756 160.8
[M+Na]+ 307.057698 169.4
[M-H]- 283.061204 163.1
[M+NH4]+ 302.102303 178.5
[M+K]+ 323.031638 165.1
[M+H-H2O]+ 267.065740 155.8
[M+HCOO]- 329.066681 178.0
[M+CH3COO]- 343.082331 195.8
[M+Na-2H]- 305.043146 162.9
[M]+ 284.06793142 162.2
[M]- 284.06902858 162.2
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