CID 473470

9-oxoxanthene-2-carbonitrile

Structural Information

Molecular Formula
C14H7NO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C#N
InChI
InChI=1S/C14H7NO2/c15-8-9-5-6-13-11(7-9)14(16)10-3-1-2-4-12(10)17-13/h1-7H
InChIKey
RQQLBDNGUIWGJO-UHFFFAOYSA-N
Compound name
9-oxoxanthene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

221.04768 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05496 149.8
[M+Na]+ 244.03690 164.6
[M-H]- 220.04040 155.6
[M+NH4]+ 239.08150 167.4
[M+K]+ 260.01084 157.9
[M+H-H2O]+ 204.04494 136.9
[M+HCOO]- 266.04588 169.7
[M+CH3COO]- 280.06153 162.7
[M+Na-2H]- 242.02235 159.6
[M]+ 221.04713 148.6
[M]- 221.04823 148.6
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.