CID 337218

Resorcinolnaphthalein

Structural Information

Molecular Formula
C24H14O5
SMILES
C1=CC2=C3C(=C1)C(=O)OC4(C3=CC=C2)C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O
InChI
InChI=1S/C24H14O5/c25-14-7-9-17-20(11-14)28-21-12-15(26)8-10-18(21)24(17)19-6-2-4-13-3-1-5-16(22(13)19)23(27)29-24/h1-12,25-26H
InChIKey
FTUOFHGOGJGQAB-UHFFFAOYSA-N
Compound name
3',6'-dihydroxyspiro[3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-4,9'-xanthene]-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

12
Patents

382.08414 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.09142 189.1
[M+Na]+ 405.07336 207.5
[M+NH4]+ 400.11796 200.3
[M+K]+ 421.04730 196.5
[M-H]- 381.07686 197.4
[M+Na-2H]- 403.05881 194.9
[M]+ 382.08359 194.7
[M]- 382.08469 194.7
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