CID 4532427

370-51-4

Structural Information

Molecular Formula
C15H9ClF6N2O
SMILES
C1=CC(=CC(=C1)NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C15H9ClF6N2O/c16-12-5-4-10(7-11(12)15(20,21)22)24-13(25)23-9-3-1-2-8(6-9)14(17,18)19/h1-7H,(H2,23,24,25)
InChIKey
PFVDUIKROVECSO-UHFFFAOYSA-N
Compound name
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

382.03076 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.03804 177.9
[M+Na]+ 405.01998 187.4
[M-H]- 381.02348 177.3
[M+NH4]+ 400.06458 190.1
[M+K]+ 420.99392 180.2
[M+H-H2O]+ 365.02802 166.2
[M+HCOO]- 427.02896 189.2
[M+CH3COO]- 441.04461 218.7
[M+Na-2H]- 403.00543 180.3
[M]+ 382.03021 171.3
[M]- 382.03131 171.3
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