CID 23159811

864725-62-2

Structural Information

Molecular Formula
C18H12Cl2F3NO3
SMILES
CC1=C(C=CC(=C1)C2=NOC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)O
InChI
InChI=1S/C18H12Cl2F3NO3/c1-9-4-10(2-3-14(9)16(25)26)15-8-17(27-24-15,18(21,22)23)11-5-12(19)7-13(20)6-11/h2-7H,8H2,1H3,(H,25,26)
InChIKey
KBWVSPGZOPXKRR-UHFFFAOYSA-N
Compound name
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

417.01462 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.02190 189.4
[M+Na]+ 440.00384 200.7
[M+NH4]+ 435.04844 195.0
[M+K]+ 455.97778 195.0
[M-H]- 416.00734 189.4
[M+Na-2H]- 437.98929 194.9
[M]+ 417.01407 191.5
[M]- 417.01517 191.5
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