CID 3007247

Acetamide, 2,2-dichloro-n-[3-[3-[2-(difluoromethoxy)phenyl]-5-isoxazolyl]phenyl]-

Structural Information

Molecular Formula
C18H12Cl2F2N2O3
SMILES
C1=CC=C(C(=C1)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl)OC(F)F
InChI
InChI=1S/C18H12Cl2F2N2O3/c19-16(20)17(25)23-11-5-3-4-10(8-11)15-9-13(24-27-15)12-6-1-2-7-14(12)26-18(21)22/h1-9,16,18H,(H,23,25)
InChIKey
ZBGPSRQYOCBKMB-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

412.01932 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.02660 188.4
[M+Na]+ 435.00854 196.8
[M-H]- 411.01204 194.6
[M+NH4]+ 430.05314 198.6
[M+K]+ 450.98248 191.4
[M+H-H2O]+ 395.01658 178.5
[M+HCOO]- 457.01752 198.4
[M+CH3COO]- 471.03317 221.0
[M+Na-2H]- 432.99399 187.4
[M]+ 412.01877 192.4
[M]- 412.01987 192.4
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

No patent data available for this compound.