CID 2735447

3663-81-8

Structural Information

Molecular Formula
C9H7ClO3
SMILES
C1C(OC2=CC=CC=C2O1)C(=O)Cl
InChI
InChI=1S/C9H7ClO3/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2
InChIKey
UPCGTFBXZKCPOT-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxine-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

198.00838 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01566 135.6
[M+Na]+ 220.99760 150.0
[M+NH4]+ 216.04220 145.0
[M+K]+ 236.97154 144.0
[M-H]- 197.00110 140.6
[M+Na-2H]- 218.98305 141.4
[M]+ 198.00783 139.4
[M]- 198.00893 139.4
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

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