CID 26852

14733-68-7

Structural Information

Molecular Formula

C₈H₄F₃NO₂

SMILES

C1=CC2=C(C=C1C(F)(F)F)NC(=O)O2

InChI

InChI=1S/C8H4F3NO2/c9-8(10,11)4-1-2-6-5(3-4)12-7(13)14-6/h1-3H,(H,12,13)

InChIKey

DNBWZEBCBIKPNJ-UHFFFAOYSA-N

Compound name

5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 203.01941 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.02669	141.0
[M+Na]+	226.00863	151.3
[M+NH4]+	221.05323	146.4
[M+K]+	241.98257	148.5
[M-H]-	202.01213	138.2
[M+Na-2H]-	223.99408	144.4
[M]+	203.01886	141.4
[M]-	203.01996	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe