CID 123755

5-carboxyfluorescein

Structural Information

Molecular Formula
C21H12O7
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI
InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25)
InChIKey
NJYVEMPWNAYQQN-UHFFFAOYSA-N
Compound name
3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

197
References

25368
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

patents stripe