CID 214653

4h-1-benzopyran-2-carbonitrile, 3-chloro-4-oxo-

Structural Information

Molecular Formula
C10H4ClNO2
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(O2)C#N)Cl
InChI
InChI=1S/C10H4ClNO2/c11-9-8(5-12)14-7-4-2-1-3-6(7)10(9)13/h1-4H
InChIKey
AKVXTSKRPXOFBK-UHFFFAOYSA-N
Compound name
3-chloro-4-oxochromene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.99306 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.00034 138.8
[M+Na]+ 227.98228 154.6
[M+NH4]+ 223.02688 144.9
[M+K]+ 243.95622 144.1
[M-H]- 203.98578 135.8
[M+Na-2H]- 225.96773 143.8
[M]+ 204.99251 139.9
[M]- 204.99361 139.9
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.