CID 4962054

852389-10-7

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]+ 196.015986 135.1
[M+Na]+ 217.997928 147.4
[M-H]- 194.001434 140.0
[M+NH4]+ 213.042533 152.3
[M+K]+ 233.971868 143.8
[M+H-H2O]+ 178.005970 123.8
[M+HCOO]- 240.006911 148.1
[M+CH3COO]- 254.022561 147.9
[M+Na-2H]- 215.983376 143.9
[M]+ 195.00816142 132.6
[M]- 195.00925858 132.6
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.