CID 3049624

N-(3,4-dichlorophenyl)-n'-hydroxypropanediamide

Structural Information

Molecular Formula
C9H8Cl2N2O3
SMILES
C1=CC(=C(C=C1NC(=O)CC(=O)NO)Cl)Cl
InChI
InChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)12-8(14)4-9(15)13-16/h1-3,16H,4H2,(H,12,14)(H,13,15)
InChIKey
ZGACHNBRFOETSO-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-N'-hydroxypropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

261.9912 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99848 151.4
[M+Na]+ 284.98042 159.7
[M-H]- 260.98392 153.7
[M+NH4]+ 280.02502 168.3
[M+K]+ 300.95436 154.8
[M+H-H2O]+ 244.98846 147.5
[M+HCOO]- 306.98940 166.2
[M+CH3COO]- 321.00505 194.3
[M+Na-2H]- 282.96587 154.7
[M]+ 261.99065 153.5
[M]- 261.99175 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe