CID 2776168

6761-70-2

Structural Information

Molecular Formula
C9H7ClO3
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)Cl
InChI
InChI=1S/C9H7ClO3/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2
InChIKey
QECXDXFCJKMZLA-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxine-6-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

198.00838 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01566 135.8
[M+Na]+ 220.99760 144.4
[M-H]- 197.00110 141.5
[M+NH4]+ 216.04220 154.3
[M+K]+ 236.97154 143.8
[M+H-H2O]+ 181.00564 131.0
[M+HCOO]- 243.00658 150.8
[M+CH3COO]- 257.02223 180.7
[M+Na-2H]- 218.98305 144.7
[M]+ 198.00783 138.4
[M]- 198.00893 138.4
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

patents stripe