CID 477863

Schembl6907303

Structural Information

Molecular Formula
C15H12Cl2FN3O
SMILES
C1C(C1NC(=O)NC2=NC=C(C=C2)Cl)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C15H12Cl2FN3O/c16-8-4-5-13(19-7-8)21-15(22)20-12-6-9(12)14-10(17)2-1-3-11(14)18/h1-5,7,9,12H,6H2,(H2,19,20,21,22)
InChIKey
ATYDGKIEOAHJNN-UHFFFAOYSA-N
Compound name
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-(5-chloropyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

339.03415 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04143 165.9
[M+Na]+ 362.02337 176.4
[M-H]- 338.02687 172.8
[M+NH4]+ 357.06797 174.6
[M+K]+ 377.99731 168.5
[M+H-H2O]+ 322.03141 157.8
[M+HCOO]- 384.03235 180.4
[M+CH3COO]- 398.04800 176.4
[M+Na-2H]- 360.00882 169.1
[M]+ 339.03360 169.5
[M]- 339.03470 169.5
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

patents stripe