CID 16115

Chloroxuron

Structural Information

Molecular Formula
C15H15ClN2O2
SMILES
CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)
InChIKey
IVUXTESCPZUGJC-UHFFFAOYSA-N
Compound name
3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

5
References

13059
Patents

290.0822 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.089476 165.4
[M+Na]+ 313.071418 172.7
[M-H]- 289.074924 173.5
[M+NH4]+ 308.116023 181.8
[M+K]+ 329.045358 169.1
[M+H-H2O]+ 273.079460 157.9
[M+HCOO]- 335.080401 187.1
[M+CH3COO]- 349.096051 207.1
[M+Na-2H]- 311.056866 169.7
[M]+ 290.08165142 169.1
[M]- 290.08274858 169.1
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