CID 13723708

77156-57-1

Structural Information

Molecular Formula
C10H9ClO3
SMILES
CC1(COC2=CC=CC=C2O1)C(=O)Cl
InChI
InChI=1S/C10H9ClO3/c1-10(9(11)12)6-13-7-4-2-3-5-8(7)14-10/h2-5H,6H2,1H3
InChIKey
LOWDXWQZUWBHMK-UHFFFAOYSA-N
Compound name
3-methyl-2H-1,4-benzodioxine-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.02402 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.031296 139.7
[M+Na]+ 235.013238 148.9
[M-H]- 211.016744 145.7
[M+NH4]+ 230.057843 159.7
[M+K]+ 250.987178 148.3
[M+H-H2O]+ 195.021280 135.3
[M+HCOO]- 257.022221 154.5
[M+CH3COO]- 271.037871 183.3
[M+Na-2H]- 232.998686 149.2
[M]+ 212.02347142 143.0
[M]- 212.02456858 143.0
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