CID 57343740

Fluindapyr

Structural Information

Molecular Formula
C18H20F3N3O
SMILES
CC1CC(C2=C(C=CC(=C12)NC(=O)C3=CN(N=C3C(F)F)C)F)(C)C
InChI
InChI=1S/C18H20F3N3O/c1-9-7-18(2,3)14-11(19)5-6-12(13(9)14)22-17(25)10-8-24(4)23-15(10)16(20)21/h5-6,8-9,16H,7H2,1-4H3,(H,22,25)
InChIKey
XCGBHLLWJZOLEM-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5242
Patents

351.15585 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16313 179.1
[M+Na]+ 374.14507 189.5
[M-H]- 350.14857 181.8
[M+NH4]+ 369.18967 196.7
[M+K]+ 390.11901 184.2
[M+H-H2O]+ 334.15311 169.8
[M+HCOO]- 396.15405 195.8
[M+CH3COO]- 410.16970 219.0
[M+Na-2H]- 372.13052 175.5
[M]+ 351.15530 178.0
[M]- 351.15640 178.0
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