CID 45035

4-amino-3,5-dichloro-n-cyclobutylbenzamide

Structural Information

Molecular Formula
C11H12Cl2N2O
SMILES
C1CC(C1)NC(=O)C2=CC(=C(C(=C2)Cl)N)Cl
InChI
InChI=1S/C11H12Cl2N2O/c12-8-4-6(5-9(13)10(8)14)11(16)15-7-2-1-3-7/h4-5,7H,1-3,14H2,(H,15,16)
InChIKey
GBPFYZSRYXJENE-UHFFFAOYSA-N
Compound name
4-amino-3,5-dichloro-N-cyclobutylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.03265 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.039926 152.2
[M+Na]+ 281.021868 159.5
[M-H]- 257.025374 157.5
[M+NH4]+ 276.066473 163.6
[M+K]+ 296.995808 156.8
[M+H-H2O]+ 241.029910 141.8
[M+HCOO]- 303.030851 165.7
[M+CH3COO]- 317.046501 200.6
[M+Na-2H]- 279.007316 154.0
[M]+ 258.03210142 160.4
[M]- 258.03319858 160.4
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

No patent data available for this compound.