CID 3007296

Schembl5153015

Structural Information

Molecular Formula
C18H13Cl2FN2O4S
SMILES
CS(=O)(=O)C1=CC=CC(=C1C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl)F
InChI
InChI=1S/C18H13Cl2FN2O4S/c1-28(25,26)15-7-3-6-12(21)16(15)13-9-14(27-23-13)10-4-2-5-11(8-10)22-18(24)17(19)20/h2-9,17H,1H3,(H,22,24)
InChIKey
JARAWTSCEZNTNJ-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-fluoro-6-methylsulfonylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

441.9957 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.00298 196.1
[M+Na]+ 464.98492 206.2
[M-H]- 440.98842 205.0
[M+NH4]+ 460.02952 206.3
[M+K]+ 480.95886 200.7
[M+H-H2O]+ 424.99296 188.7
[M+HCOO]- 486.99390 202.4
[M+CH3COO]- 501.00955 223.5
[M+Na-2H]- 462.97037 195.3
[M]+ 441.99515 203.6
[M]- 441.99625 203.6
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