CID 2767298

3,5-dichloro-n-propylbenzamide

Structural Information

Molecular Formula
C10H11Cl2NO
SMILES
CCCNC(=O)C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C10H11Cl2NO/c1-2-3-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H,13,14)
InChIKey
MPELDPYJXWGKJS-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-propylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

231.02177 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.029046 147.0
[M+Na]+ 254.010988 156.3
[M-H]- 230.014494 150.2
[M+NH4]+ 249.055593 166.5
[M+K]+ 269.984928 150.9
[M+H-H2O]+ 214.019030 143.0
[M+HCOO]- 276.019971 162.1
[M+CH3COO]- 290.035621 191.2
[M+Na-2H]- 251.996436 151.0
[M]+ 231.02122142 150.4
[M]- 231.02231858 150.4
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

patents stripe