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

2
Patents

212.02402 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03130 139.7
[M+Na]+ 235.01324 148.9
[M-H]- 211.01674 145.7
[M+NH4]+ 230.05784 159.7
[M+K]+ 250.98718 148.3
[M+H-H2O]+ 195.02128 135.3
[M+HCOO]- 257.02222 154.5
[M+CH3COO]- 271.03787 183.3
[M+Na-2H]- 232.99869 149.2
[M]+ 212.02347 143.0
[M]- 212.02457 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