CID 3007250

Schembl5154998

Structural Information

Molecular Formula
C18H12Cl3FN2O2
SMILES
CC1=C(C(=C(C=C1)Cl)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl)F
InChI
InChI=1S/C18H12Cl3FN2O2/c1-9-5-6-12(19)15(16(9)22)13-8-14(26-24-13)10-3-2-4-11(7-10)23-18(25)17(20)21/h2-8,17H,1H3,(H,23,25)
InChIKey
ZTIZPXSDUKDRMQ-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

411.99484 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.00212 191.1
[M+Na]+ 434.98406 201.4
[M-H]- 410.98756 197.6
[M+NH4]+ 430.02866 202.1
[M+K]+ 450.95800 194.8
[M+H-H2O]+ 394.99210 182.8
[M+HCOO]- 456.99304 197.1
[M+CH3COO]- 471.00869 200.6
[M+Na-2H]- 432.96951 188.9
[M]+ 411.99429 196.2
[M]- 411.99539 196.2
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