CID 3007233

2,2-dichloro-n-[3-[3-(2-fluoro-6-methylsulfanyl-phenyl)isoxazol-5-yl]phenyl]acetamide

Structural Information

Molecular Formula
C18H13Cl2FN2O2S
SMILES
CSC1=CC=CC(=C1C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl)F
InChI
InChI=1S/C18H13Cl2FN2O2S/c1-26-15-7-3-6-12(21)16(15)13-9-14(25-23-13)10-4-2-5-11(8-10)22-18(24)17(19)20/h2-9,17H,1H3,(H,22,24)
InChIKey
SPASVXPMLFOBGL-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.0059 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.01318 190.4
[M+Na]+ 432.99512 200.3
[M-H]- 408.99862 198.7
[M+NH4]+ 428.03972 202.1
[M+K]+ 448.96906 193.9
[M+H-H2O]+ 393.00316 182.6
[M+HCOO]- 455.00410 197.5
[M+CH3COO]- 469.01975 200.6
[M+Na-2H]- 430.98057 188.0
[M]+ 410.00535 197.0
[M]- 410.00645 197.0
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

No patent data available for this compound.