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 152.2
[M+Na]+ 281.02187 159.5
[M-H]- 257.02537 157.5
[M+NH4]+ 276.06647 163.6
[M+K]+ 296.99581 156.8
[M+H-H2O]+ 241.02991 141.8
[M+HCOO]- 303.03085 165.7
[M+CH3COO]- 317.04650 200.6
[M+Na-2H]- 279.00732 154.0
[M]+ 258.03210 160.4
[M]- 258.03320 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.