CID 13518295

Carboxyfluorescein

Structural Information

Molecular Formula
C21H12O7
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=CC(=CC(=C35)C(=O)O)O
InChI
InChI=1S/C21H12O7/c22-10-5-6-15-16(8-10)27-17-9-11(23)7-13(19(24)25)18(17)21(15)14-4-2-1-3-12(14)20(26)28-21/h1-9,22-23H,(H,24,25)
InChIKey
WVQVHXOMNQCKPA-UHFFFAOYSA-N
Compound name
3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1104
References

0
Patents

376.0583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.06558 181.4
[M+Na]+ 399.04752 192.0
[M-H]- 375.05102 188.7
[M+NH4]+ 394.09212 195.8
[M+K]+ 415.02146 189.4
[M+H-H2O]+ 359.05556 174.8
[M+HCOO]- 421.05650 194.1
[M+CH3COO]- 435.07215 192.2
[M+Na-2H]- 397.03297 187.0
[M]+ 376.05775 184.8
[M]- 376.05885 184.8
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

No patent data available for this compound.