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

23360
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

literature stripe

Patent stripe

patents stripe