CID 4961827

8-chloro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

Structural Information

Molecular Formula
C9H7ClO4
SMILES
C1COC2=C(O1)C=C(C=C2Cl)C(=O)O
InChI
InChI=1S/C9H7ClO4/c10-6-3-5(9(11)12)4-7-8(6)14-2-1-13-7/h3-4H,1-2H2,(H,11,12)
InChIKey
QXSSNLARLMWPIB-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

214.00328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01056 138.7
[M+Na]+ 236.99250 152.4
[M+NH4]+ 232.03710 147.2
[M+K]+ 252.96644 147.5
[M-H]- 212.99600 142.8
[M+Na-2H]- 234.97795 143.2
[M]+ 214.00273 142.1
[M]- 214.00383 142.1
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