CID 3055895

73050-94-9

Structural Information

Molecular Formula
C13H15ClO4
SMILES
CC1(C2=C(C=CC(=C2)Cl)OC(O1)(C)C(=O)OC)C
InChI
InChI=1S/C13H15ClO4/c1-12(2)9-7-8(14)5-6-10(9)17-13(3,18-12)11(15)16-4/h5-7H,1-4H3
InChIKey
KDAHXVAZWBTUDN-UHFFFAOYSA-N
Compound name
methyl 6-chloro-2,4,4-trimethyl-1,3-benzodioxine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.0659 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07318 152.8
[M+Na]+ 293.05512 163.5
[M-H]- 269.05862 159.5
[M+NH4]+ 288.09972 173.2
[M+K]+ 309.02906 163.3
[M+H-H2O]+ 253.06316 149.1
[M+HCOO]- 315.06410 166.8
[M+CH3COO]- 329.07975 195.9
[M+Na-2H]- 291.04057 161.1
[M]+ 270.06535 159.9
[M]- 270.06645 159.9
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