CID 69462

Resorufin

Structural Information

Molecular Formula

C₁₂H₇NO₃

SMILES

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=N2

InChI

InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H

InChIKey

HSSLDCABUXLXKM-UHFFFAOYSA-N

Compound name

7-hydroxyphenoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 591
References: 22090
Patents: 213.04259 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.04987	140.2
[M+Na]+	236.03181	151.8
[M-H]-	212.03531	144.7
[M+NH4]+	231.07641	158.0
[M+K]+	252.00575	148.7
[M+H-H2O]+	196.03985	133.1
[M+HCOO]-	258.04079	160.5
[M+CH3COO]-	272.05644	154.1
[M+Na-2H]-	234.01726	151.4
[M]+	213.04204	142.8
[M]-	213.04314	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe