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]+ 250.08626 158.4
[M+Na]+ 272.06820 173.9
[M-H]- 248.07170 164.6
[M+NH4]+ 267.11280 175.5
[M+K]+ 288.04214 167.1
[M+H-H2O]+ 232.07624 145.5
[M+HCOO]- 294.07718 177.6
[M+CH3COO]- 308.09283 171.1
[M+Na-2H]- 270.05365 165.9
[M]+ 249.07843 158.5
[M]- 249.07953 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.