CID 135429333

4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridyl]isoxazol-3-yl]phenol

Structural Information

Molecular Formula
C16H11F3N2O3
SMILES
COC1=CC(=C(C=C1)O)C2=NOC(=C2)C3=C(C=CC=N3)C(F)(F)F
InChI
InChI=1S/C16H11F3N2O3/c1-23-9-4-5-13(22)10(7-9)12-8-14(24-21-12)15-11(16(17,18)19)3-2-6-20-15/h2-8,22H,1H3
InChIKey
AWBPEKGLAHXMNX-UHFFFAOYSA-N
Compound name
4-methoxy-2-[5-[3-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.07217 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07945 172.7
[M+Na]+ 359.06139 183.4
[M-H]- 335.06489 176.7
[M+NH4]+ 354.10599 183.5
[M+K]+ 375.03533 179.1
[M+H-H2O]+ 319.06943 161.4
[M+HCOO]- 381.07037 189.2
[M+CH3COO]- 395.08602 205.4
[M+Na-2H]- 357.04684 175.7
[M]+ 336.07162 172.5
[M]- 336.07272 172.5
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