CID 343576

Nsc383451

Structural Information

Molecular Formula
C16H11NO2
SMILES
CC1=CC2=C(C(=C1C)C#N)OC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H11NO2/c1-9-7-12-15(18)11-5-3-4-6-14(11)19-16(12)13(8-17)10(9)2/h3-7H,1-2H3
InChIKey
UKPXSGGCUAQRQY-UHFFFAOYSA-N
Compound name
2,3-dimethyl-9-oxoxanthene-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07898 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.086256 158.4
[M+Na]+ 272.068198 173.9
[M-H]- 248.071704 164.6
[M+NH4]+ 267.112803 175.5
[M+K]+ 288.042138 167.1
[M+H-H2O]+ 232.076240 145.5
[M+HCOO]- 294.077181 177.6
[M+CH3COO]- 308.092831 171.1
[M+Na-2H]- 270.053646 165.9
[M]+ 249.07843142 158.5
[M]- 249.07952858 158.5
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.