CID 4173499

1-(2-chloro-5-(trifluoromethyl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.03076 Da
Monoisotopic Mass

4.9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.