CID 310378

501684-93-1

Structural Information

Molecular Formula
C14H9Cl2F3N2O2
SMILES
C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=CC(=C2)Cl)O)Cl
InChI
InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)
InChIKey
OUDXRNQPVSMGDW-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-hydroxyphenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

77
Patents

363.99933 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.00661 173.2
[M+Na]+ 386.98855 183.2
[M-H]- 362.99205 174.9
[M+NH4]+ 382.03315 186.4
[M+K]+ 402.96249 175.8
[M+H-H2O]+ 346.99659 165.4
[M+HCOO]- 408.99753 183.6
[M+CH3COO]- 423.01318 212.9
[M+Na-2H]- 384.97400 175.5
[M]+ 363.99878 172.2
[M]- 363.99988 172.2
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