CID 4116142

763031-30-7

Structural Information

Molecular Formula
C9H9Cl2N3O2
SMILES
C1=CC(=C(C=C1NC(=O)CC(=NO)N)Cl)Cl
InChI
InChI=1S/C9H9Cl2N3O2/c10-6-2-1-5(3-7(6)11)13-9(15)4-8(12)14-16/h1-3,16H,4H2,(H2,12,14)(H,13,15)
InChIKey
XJCUNEBJPYZWAX-UHFFFAOYSA-N
Compound name
3-amino-N-(3,4-dichlorophenyl)-3-hydroxyiminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.00717 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.01445 154.7
[M+Na]+ 283.99639 162.6
[M-H]- 259.99989 157.6
[M+NH4]+ 279.04099 171.7
[M+K]+ 299.97033 157.7
[M+H-H2O]+ 244.00443 150.2
[M+HCOO]- 306.00537 171.0
[M+CH3COO]- 320.02102 199.2
[M+Na-2H]- 281.98184 157.4
[M]+ 261.00662 155.5
[M]- 261.00772 155.5
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.