CID 45041

N-ethyl-4-amino-3,5-dichlorobenzamide

Structural Information

Molecular Formula
C9H10Cl2N2O
SMILES
CCNC(=O)C1=CC(=C(C(=C1)Cl)N)Cl
InChI
InChI=1S/C9H10Cl2N2O/c1-2-13-9(14)5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3,(H,13,14)
InChIKey
WOLIADBLOGKYQS-UHFFFAOYSA-N
Compound name
4-amino-3,5-dichloro-N-ethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.01701 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.024286 148.2
[M+Na]+ 255.006228 157.9
[M-H]- 231.009734 151.3
[M+NH4]+ 250.050833 167.2
[M+K]+ 270.980168 152.4
[M+H-H2O]+ 215.014270 144.3
[M+HCOO]- 277.015211 163.9
[M+CH3COO]- 291.030861 193.7
[M+Na-2H]- 252.991676 151.1
[M]+ 232.01646142 149.9
[M]- 232.01755858 149.9
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

No patent data available for this compound.