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]+ 271.04802 157.8
[M+Na]+ 293.02996 163.8
[M-H]- 269.03346 163.1
[M+NH4]+ 288.07456 172.5
[M+K]+ 309.00390 163.0
[M+H-H2O]+ 253.03800 151.6
[M+HCOO]- 315.03894 173.5
[M+CH3COO]- 329.05459 197.3
[M+Na-2H]- 291.01541 164.9
[M]+ 270.04019 159.6
[M]- 270.04129 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.