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

589
References

21709
Patents

213.04259 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.