CID 43397

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

Structural Information

Molecular Formula
C10H10Cl2N2O
SMILES
C1CC1NC(=O)C2=CC(=C(C(=C2)Cl)N)Cl
InChI
InChI=1S/C10H10Cl2N2O/c11-7-3-5(4-8(12)9(7)13)10(15)14-6-1-2-6/h3-4,6H,1-2,13H2,(H,14,15)
InChIKey
ZOEINVZGXJXJIR-UHFFFAOYSA-N
Compound name
4-amino-3,5-dichloro-N-cyclopropylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

0
Patents

244.01701 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02429 143.6
[M+Na]+ 267.00623 154.1
[M-H]- 243.00973 150.1
[M+NH4]+ 262.05083 157.2
[M+K]+ 282.98017 147.6
[M+H-H2O]+ 227.01427 139.0
[M+HCOO]- 289.01521 159.8
[M+CH3COO]- 303.03086 197.8
[M+Na-2H]- 264.99168 147.1
[M]+ 244.01646 146.9
[M]- 244.01756 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe