CID 3080579

Resorufin acetate

Structural Information

Molecular Formula
C14H9NO4
SMILES
CC(=O)OC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2
InChI
InChI=1S/C14H9NO4/c1-8(16)18-10-3-5-12-14(7-10)19-13-6-9(17)2-4-11(13)15-12/h2-7H,1H3
InChIKey
UJWKHDKBOVPINX-UHFFFAOYSA-N
Compound name
(7-oxophenoxazin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

181
Patents

255.05316 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06044 151.5
[M+Na]+ 278.04238 162.4
[M-H]- 254.04588 157.1
[M+NH4]+ 273.08698 168.0
[M+K]+ 294.01632 160.4
[M+H-H2O]+ 238.05042 143.6
[M+HCOO]- 300.05136 171.9
[M+CH3COO]- 314.06701 164.9
[M+Na-2H]- 276.02783 160.9
[M]+ 255.05261 156.5
[M]- 255.05371 156.5
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.