CID 117800774

Cyclobutrifluram, (s)-

Structural Information

Molecular Formula
C17H13Cl2F3N2O
SMILES
C1C[C@@H]([C@@H]1C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=C(N=CC=C3)C(F)(F)F
InChI
InChI=1S/C17H13Cl2F3N2O/c18-9-3-4-10(13(19)8-9)11-5-6-14(11)24-16(25)12-2-1-7-23-15(12)17(20,21)22/h1-4,7-8,11,14H,5-6H2,(H,24,25)/t11-,14-/m0/s1
InChIKey
GBFKIHJZPMECCF-FZMZJTMJSA-N
Compound name
N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

295
Patents

388.0357 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.04298 182.2
[M+Na]+ 411.02492 189.7
[M+NH4]+ 406.06952 184.2
[M+K]+ 426.99886 184.4
[M-H]- 387.02842 180.1
[M+Na-2H]- 409.01037 185.9
[M]+ 388.03515 182.0
[M]- 388.03625 182.0
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

patents stripe