CID 44151818

Flutianil

Structural Information

Molecular Formula
C19H14F4N2OS2
SMILES
COC1=CC=CC=C1N\2CCS/C2=C(/C#N)\SC3=C(C=CC(=C3)C(F)(F)F)F
InChI
InChI=1S/C19H14F4N2OS2/c1-26-15-5-3-2-4-14(15)25-8-9-27-18(25)17(11-24)28-16-10-12(19(21,22)23)6-7-13(16)20/h2-7,10H,8-9H2,1H3/b18-17-
InChIKey
KGXUEPOHGFWQKF-ZCXUNETKSA-N
Compound name
(2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

9571
Patents

426.04837 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.05565 196.9
[M+Na]+ 449.03759 207.5
[M-H]- 425.04109 199.0
[M+NH4]+ 444.08219 207.0
[M+K]+ 465.01153 199.2
[M+H-H2O]+ 409.04563 180.1
[M+HCOO]- 471.04657 199.0
[M+CH3COO]- 485.06222 228.9
[M+Na-2H]- 447.02304 191.3
[M]+ 426.04782 189.4
[M]- 426.04892 189.4
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