CID 32154

Propyzamide

Structural Information

Molecular Formula
C12H11Cl2NO
SMILES
CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
InChIKey
PHNUZKMIPFFYSO-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

79
References

24906
Patents

255.02177 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.02905 158.4
[M+Na]+ 278.01099 169.9
[M-H]- 254.01449 160.5
[M+NH4]+ 273.05559 174.9
[M+K]+ 293.98493 162.9
[M+H-H2O]+ 238.01903 148.8
[M+HCOO]- 300.01997 166.7
[M+CH3COO]- 314.03562 202.4
[M+Na-2H]- 275.99644 160.9
[M]+ 255.02122 155.7
[M]- 255.02232 155.7
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.