CID 393815

Nsc696594

Structural Information

Molecular Formula
C15H10F3NO2
SMILES
C1=CC=C2C(=C1)N=C(O2)C(C(C3=CC=C(C=C3)F)O)(F)F
InChI
InChI=1S/C15H10F3NO2/c16-10-7-5-9(6-8-10)13(20)15(17,18)14-19-11-3-1-2-4-12(11)21-14/h1-8,13,20H
InChIKey
NIGPZORFTBMLFX-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-(4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06638 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07366 160.7
[M+Na]+ 316.05560 171.0
[M-H]- 292.05910 163.4
[M+NH4]+ 311.10020 175.6
[M+K]+ 332.02954 166.8
[M+H-H2O]+ 276.06364 151.2
[M+HCOO]- 338.06458 177.6
[M+CH3COO]- 352.08023 198.2
[M+Na-2H]- 314.04105 166.2
[M]+ 293.06583 159.8
[M]- 293.06693 159.8
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.