CID 135429340

1-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]naphthalen-2-ol

Structural Information

Molecular Formula
C19H10F4N2O2
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=NC(=NO3)C4=C(C=CC(=C4)C(F)(F)F)F)O
InChI
InChI=1S/C19H10F4N2O2/c20-14-7-6-11(19(21,22)23)9-13(14)17-24-18(27-25-17)16-12-4-2-1-3-10(12)5-8-15(16)26/h1-9,26H
InChIKey
ZPLLJPNLIVMUKY-UHFFFAOYSA-N
Compound name
1-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

374.06784 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07512 184.0
[M+Na]+ 397.05706 196.9
[M-H]- 373.06056 188.1
[M+NH4]+ 392.10166 194.4
[M+K]+ 413.03100 190.0
[M+H-H2O]+ 357.06510 171.4
[M+HCOO]- 419.06604 199.1
[M+CH3COO]- 433.08169 194.3
[M+Na-2H]- 395.04251 187.4
[M]+ 374.06729 183.0
[M]- 374.06839 183.0
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