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

83
Patents

284.06848 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07576 160.8
[M+Na]+ 307.05770 169.4
[M-H]- 283.06120 163.1
[M+NH4]+ 302.10230 178.5
[M+K]+ 323.03164 165.1
[M+H-H2O]+ 267.06574 155.8
[M+HCOO]- 329.06668 178.0
[M+CH3COO]- 343.08233 195.8
[M+Na-2H]- 305.04315 162.9
[M]+ 284.06793 162.2
[M]- 284.06903 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