CID 11158353

Fluopyram

Structural Information

Molecular Formula
C16H11ClF6N2O
SMILES
C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F
InChI
InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)
InChIKey
KVDJTXBXMWJJEF-UHFFFAOYSA-N
Compound name
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

92
References

18261
Patents

396.04642 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.053696 182.6
[M+Na]+ 419.035638 192.4
[M-H]- 395.039144 180.5
[M+NH4]+ 414.080243 193.1
[M+K]+ 435.009578 184.7
[M+H-H2O]+ 379.043680 169.9
[M+HCOO]- 441.044621 191.1
[M+CH3COO]- 455.060271 219.9
[M+Na-2H]- 417.021086 184.3
[M]+ 396.04587142 177.5
[M]- 396.04696858 177.5
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