CID 3007294

Schembl5153489

Structural Information

Molecular Formula
C18H12Cl2F2N2O2
SMILES
CC1=C(C(=C(C=C1)F)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl)F
InChI
InChI=1S/C18H12Cl2F2N2O2/c1-9-5-6-12(21)15(16(9)22)13-8-14(26-24-13)10-3-2-4-11(7-10)23-18(25)17(19)20/h2-8,17H,1H3,(H,23,25)
InChIKey
QDWFCDDNFWDGJB-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2,6-difluoro-3-methylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

396.02438 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.03166 187.6
[M+Na]+ 419.01360 198.3
[M-H]- 395.01710 194.3
[M+NH4]+ 414.05820 199.2
[M+K]+ 434.98754 191.6
[M+H-H2O]+ 379.02164 178.0
[M+HCOO]- 441.02258 198.2
[M+CH3COO]- 455.03823 220.5
[M+Na-2H]- 416.99905 185.9
[M]+ 396.02383 191.4
[M]- 396.02493 191.4
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