CID 10379

Indophenol

Structural Information

Molecular Formula
C12H9NO2
SMILES
C1=CC(=O)C=CC1=NC2=CC=C(C=C2)O
InChI
InChI=1S/C12H9NO2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8,14H
InChIKey
RSAZYXZUJROYKR-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

695
References

13206
Patents

199.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07060 139.8
[M+Na]+ 222.05254 147.9
[M-H]- 198.05604 147.0
[M+NH4]+ 217.09714 158.7
[M+K]+ 238.02648 144.6
[M+H-H2O]+ 182.06058 132.9
[M+HCOO]- 244.06152 165.4
[M+CH3COO]- 258.07717 185.2
[M+Na-2H]- 220.03799 147.0
[M]+ 199.06277 138.3
[M]- 199.06387 138.3
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