CID 207344

Phenolphthalein, tetraiodo-

Structural Information

Molecular Formula
C20H10I4O4
SMILES
C1=CC(=CC=C1C2(C3=C(C(=C(C(=C3I)I)I)I)C(=O)O2)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C20H10I4O4/c21-15-13-14(16(22)18(24)17(15)23)20(28-19(13)27,9-1-5-11(25)6-2-9)10-3-7-12(26)8-4-10/h1-8,25-26H
InChIKey
QROHRCGRGMYXAB-UHFFFAOYSA-N
Compound name
3,3-bis(4-hydroxyphenyl)-4,5,6,7-tetraiodo-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

172
Patents

821.6758 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 822.68308 233.2
[M+Na]+ 844.66502 219.6
[M-H]- 820.66852 226.3
[M+NH4]+ 839.70962 229.8
[M+K]+ 860.63896 232.0
[M+H-H2O]+ 804.67306 220.1
[M+HCOO]- 866.67400 230.2
[M+CH3COO]- 880.68965 226.1
[M+Na-2H]- 842.65047 211.6
[M]+ 821.67525 226.2
[M]- 821.67635 226.2
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