CID 4271623

3,5-dichloro-n-ethylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

217.00612 Da
Monoisotopic Mass

3.4
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

No literature data available for this compound.

Patent stripe

patents stripe