CID 4962054

8-chloro-2,3-dihydro-1,4-benzodioxine-6-carbonitrile

Structural Information

Molecular Formula
C9H6ClNO2
SMILES
C1COC2=C(O1)C=C(C=C2Cl)C#N
InChI
InChI=1S/C9H6ClNO2/c10-7-3-6(5-11)4-8-9(7)13-2-1-12-8/h3-4H,1-2H2
InChIKey
CEFHZQNIGUDOMB-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

195.00871 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.01599 139.4
[M+Na]+ 217.99793 153.6
[M+NH4]+ 213.04253 145.6
[M+K]+ 233.97187 143.9
[M-H]- 194.00143 137.3
[M+Na-2H]- 215.98338 142.8
[M]+ 195.00816 140.5
[M]- 195.00926 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.