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]+ 259.03993 148.1
[M+Na]+ 281.02187 158.1
[M-H]- 257.02537 155.0
[M+NH4]+ 276.06647 161.4
[M+K]+ 296.99581 151.8
[M+H-H2O]+ 241.02991 143.2
[M+HCOO]- 303.03085 164.5
[M+CH3COO]- 317.04650 201.2
[M+Na-2H]- 279.00732 152.0
[M]+ 258.03210 152.7
[M]- 258.03320 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.