CID 16218651

Fluorescein-o'-acetic acid

Structural Information

Molecular Formula
C22H14O7
SMILES
C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OCC(=O)O)C(=O)O
InChI
InChI=1S/C22H14O7/c23-12-5-7-16-18(9-12)29-19-10-13(28-11-20(24)25)6-8-17(19)21(16)14-3-1-2-4-15(14)22(26)27/h1-10H,11H2,(H,24,25)(H,26,27)
InChIKey
VQKDLLIKXLDPHW-UHFFFAOYSA-N
Compound name
2-[3-(carboxymethoxy)-6-oxoxanthen-9-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

390.07394 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08122 186.3
[M+Na]+ 413.06316 194.5
[M-H]- 389.06666 193.4
[M+NH4]+ 408.10776 196.2
[M+K]+ 429.03710 192.0
[M+H-H2O]+ 373.07120 177.1
[M+HCOO]- 435.07214 202.7
[M+CH3COO]- 449.08779 218.4
[M+Na-2H]- 411.04861 190.6
[M]+ 390.07339 190.9
[M]- 390.07449 190.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe