CID 45035

63887-22-9

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]+ 259.03993 151.7
[M+Na]+ 281.02187 160.0
[M+NH4]+ 276.06647 156.5
[M+K]+ 296.99581 154.9
[M-H]- 257.02537 153.1
[M+Na-2H]- 279.00732 156.0
[M]+ 258.03210 152.6
[M]- 258.03320 152.6
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.