CID 3007245

Acetamide, 2,2-dichloro-n-[3-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-5-isoxazolyl]phenyl]-

Structural Information

Molecular Formula
C18H10Cl2F4N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C(Cl)Cl)C2=CC(=NO2)C3=C(C=CC=C3F)C(F)(F)F
InChI
InChI=1S/C18H10Cl2F4N2O2/c19-16(20)17(27)25-10-4-1-3-9(7-10)14-8-13(26-28-14)15-11(18(22,23)24)5-2-6-12(15)21/h1-8,16H,(H,25,27)
InChIKey
MQEPOLJIHSOCQA-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

432.00555 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.01283 191.4
[M+Na]+ 454.99477 201.7
[M-H]- 430.99827 195.5
[M+NH4]+ 450.03937 201.3
[M+K]+ 470.96871 194.7
[M+H-H2O]+ 415.00281 180.2
[M+HCOO]- 477.00375 198.4
[M+CH3COO]- 491.01940 224.3
[M+Na-2H]- 452.98022 190.4
[M]+ 432.00500 192.2
[M]- 432.00610 192.2
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