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

144
Patents

198.00838 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.015656 135.8
[M+Na]+ 220.997598 144.4
[M-H]- 197.001104 141.5
[M+NH4]+ 216.042203 154.3
[M+K]+ 236.971538 143.8
[M+H-H2O]+ 181.005640 131.0
[M+HCOO]- 243.006581 150.8
[M+CH3COO]- 257.022231 180.7
[M+Na-2H]- 218.983046 144.7
[M]+ 198.00783142 138.4
[M]- 198.00892858 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