CID 13723668

70918-58-0

Structural Information

Molecular Formula
C9H7ClO4
SMILES
C1C(OC2=C(O1)C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C9H7ClO4/c10-5-1-2-6-7(3-5)13-4-8(14-6)9(11)12/h1-3,8H,4H2,(H,11,12)
InChIKey
MNHNWDHFZWYPIJ-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

214.00328 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.010556 138.7
[M+Na]+ 236.992498 147.8
[M-H]- 212.996004 143.5
[M+NH4]+ 232.037103 156.1
[M+K]+ 252.966438 146.8
[M+H-H2O]+ 197.000540 134.2
[M+HCOO]- 259.001481 152.5
[M+CH3COO]- 273.017131 181.6
[M+Na-2H]- 234.977946 146.6
[M]+ 214.00273142 141.4
[M]- 214.00382858 141.4
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