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]+ 232.02905 147.0
[M+Na]+ 254.01099 156.3
[M-H]- 230.01449 150.2
[M+NH4]+ 249.05559 166.5
[M+K]+ 269.98493 150.9
[M+H-H2O]+ 214.01903 143.0
[M+HCOO]- 276.01997 162.1
[M+CH3COO]- 290.03562 191.2
[M+Na-2H]- 251.99644 151.0
[M]+ 231.02122 150.4
[M]- 231.02232 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