CID 43268

60439-52-3

Structural Information

Molecular Formula
C11H12Cl2N2O
SMILES
CNC1=C(C=C(C=C1Cl)C(=O)NC2CC2)Cl
InChI
InChI=1S/C11H12Cl2N2O/c1-14-10-8(12)4-6(5-9(10)13)11(16)15-7-2-3-7/h4-5,7,14H,2-3H2,1H3,(H,15,16)
InChIKey
YYVJXCMEJLMKHX-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-cyclopropyl-4-(methylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.03265 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.039926 148.1
[M+Na]+ 281.021868 158.1
[M-H]- 257.025374 155.0
[M+NH4]+ 276.066473 161.4
[M+K]+ 296.995808 151.8
[M+H-H2O]+ 241.029910 143.2
[M+HCOO]- 303.030851 164.5
[M+CH3COO]- 317.046501 201.2
[M+Na-2H]- 279.007316 152.0
[M]+ 258.03210142 152.7
[M]- 258.03319858 152.7
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.