CID 407903

3'-chloroindophenol sodium salt [redox indicator]

Structural Information

Molecular Formula
C12H8ClNO2
SMILES
C1=CC(=O)C=CC1=NC2=CC(=C(C=C2)O)Cl
InChI
InChI=1S/C12H8ClNO2/c13-11-7-9(3-6-12(11)16)14-8-1-4-10(15)5-2-8/h1-7,16H
InChIKey
RNIWVTZQQMUZAJ-UHFFFAOYSA-N
Compound name
4-(3-chloro-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

233.02435 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03163 146.9
[M+Na]+ 256.01357 156.7
[M-H]- 232.01707 154.2
[M+NH4]+ 251.05817 165.6
[M+K]+ 271.98751 151.6
[M+H-H2O]+ 216.02161 140.9
[M+HCOO]- 278.02255 167.9
[M+CH3COO]- 292.03820 190.2
[M+Na-2H]- 253.99902 152.8
[M]+ 233.02380 147.9
[M]- 233.02490 147.9
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