CID 47445

Triflumuron

Structural Information

Molecular Formula
C15H10ClF3N2O3
SMILES
C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl
InChI
InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)
InChIKey
XAIPTRIXGHTTNT-UHFFFAOYSA-N
Compound name
2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

104
References

34665
Patents

358.0332 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.04048 174.2
[M+Na]+ 381.02242 181.9
[M-H]- 357.02592 177.2
[M+NH4]+ 376.06702 187.0
[M+K]+ 396.99636 176.8
[M+H-H2O]+ 341.03046 164.6
[M+HCOO]- 403.03140 190.2
[M+CH3COO]- 417.04705 213.1
[M+Na-2H]- 379.00787 177.5
[M]+ 358.03265 173.0
[M]- 358.03375 173.0
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