CID 3007249

Schembl5150748

Structural Information

Molecular Formula
C17H10Cl2FIN2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C(Cl)Cl)C2=CC(=NO2)C3=C(C=CC=C3I)F
InChI
InChI=1S/C17H10Cl2FIN2O2/c18-16(19)17(24)22-10-4-1-3-9(7-10)14-8-13(23-25-14)15-11(20)5-2-6-12(15)21/h1-8,16H,(H,22,24)
InChIKey
YYKQTQKTBXFGRW-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-fluoro-6-iodophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

489.9148 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.92208 190.5
[M+Na]+ 512.90402 193.2
[M-H]- 488.90752 190.7
[M+NH4]+ 507.94862 197.7
[M+K]+ 528.87796 192.9
[M+H-H2O]+ 472.91206 178.1
[M+HCOO]- 534.91300 197.7
[M+CH3COO]- 548.92865 196.6
[M+Na-2H]- 510.88947 179.2
[M]+ 489.91425 191.6
[M]- 489.91535 191.6
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