CID 4933

Propanil

Structural Information

Molecular Formula
C9H9Cl2NO
SMILES
CCC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
InChIKey
LFULEKSKNZEWOE-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

347
References

45098
Patents

217.00612 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.013396 142.4
[M+Na]+ 239.995338 152.0
[M-H]- 215.998844 145.7
[M+NH4]+ 235.039943 162.3
[M+K]+ 255.969278 146.9
[M+H-H2O]+ 200.003380 138.6
[M+HCOO]- 262.004321 157.7
[M+CH3COO]- 276.019971 188.2
[M+Na-2H]- 237.980786 146.9
[M]+ 217.00557142 145.4
[M]- 217.00666858 145.4
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