CID 3007234

Schembl5150504

Structural Information

Molecular Formula
C17H9Cl4FN2O2
SMILES
C1=CC(=C(C(=C1)Cl)C2=NOC(=C2)C3=C(C=CC(=C3)NC(=O)C(Cl)Cl)F)Cl
InChI
InChI=1S/C17H9Cl4FN2O2/c18-10-2-1-3-11(19)15(10)13-7-14(26-24-13)9-6-8(4-5-12(9)22)23-17(25)16(20)21/h1-7,16H,(H,23,25)
InChIKey
YGZQUJXEAOVRQC-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-fluorophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

431.94022 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.94750 191.9
[M+Na]+ 454.92944 201.9
[M-H]- 430.93294 196.6
[M+NH4]+ 449.97404 201.8
[M+K]+ 470.90338 195.6
[M+H-H2O]+ 414.93748 184.0
[M+HCOO]- 476.93842 192.6
[M+CH3COO]- 490.95407 200.2
[M+Na-2H]- 452.91489 188.9
[M]+ 431.93967 196.0
[M]- 431.94077 196.0
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

patents stripe