CID 3749974

N'-(2-chloroacetyl)-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

Structural Information

Molecular Formula
C11H11ClN2O4
SMILES
C1C(OC2=CC=CC=C2O1)C(=O)NNC(=O)CCl
InChI
InChI=1S/C11H11ClN2O4/c12-5-10(15)13-14-11(16)9-6-17-7-3-1-2-4-8(7)18-9/h1-4,9H,5-6H2,(H,13,15)(H,14,16)
InChIKey
IGMNAYRFVQTWFZ-UHFFFAOYSA-N
Compound name
N'-(2-chloroacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.04074 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.048016 157.8
[M+Na]+ 293.029958 163.8
[M-H]- 269.033464 163.1
[M+NH4]+ 288.074563 172.5
[M+K]+ 309.003898 163.0
[M+H-H2O]+ 253.038000 151.6
[M+HCOO]- 315.038941 173.5
[M+CH3COO]- 329.054591 197.3
[M+Na-2H]- 291.015406 164.9
[M]+ 270.04019142 159.6
[M]- 270.04128858 159.6
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

No patent data available for this compound.