CID 341165

Nsc372779

Structural Information

Molecular Formula
C18H12ClNO2
SMILES
CC1=CC2=C(C(=C1C)C#N)OC(=CC2=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H12ClNO2/c1-10-7-13-16(21)8-17(12-5-3-4-6-15(12)19)22-18(13)14(9-20)11(10)2/h3-8H,1-2H3
InChIKey
YFPIIBODDHAOTJ-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromene-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.05566 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.06294 173.2
[M+Na]+ 332.04488 188.6
[M-H]- 308.04838 180.8
[M+NH4]+ 327.08948 187.8
[M+K]+ 348.01882 180.4
[M+H-H2O]+ 292.05292 160.1
[M+HCOO]- 354.05386 187.8
[M+CH3COO]- 368.06951 184.8
[M+Na-2H]- 330.03033 177.1
[M]+ 309.05511 173.8
[M]- 309.05621 173.8
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.