CID 10774456

229623-52-3

Structural Information

Molecular Formula

C₈H₅F₃N₂O

SMILES

C1=CC2=C(C(=C1)C(F)(F)F)ON=C2N

InChI

InChI=1S/C8H5F3N2O/c9-8(10,11)5-3-1-2-4-6(5)14-13-7(4)12/h1-3H,(H2,12,13)

InChIKey

PIZYYENSQAOYKU-UHFFFAOYSA-N

Compound name

7-(trifluoromethyl)-1,2-benzoxazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 202.0354 Da
Monoisotopic Mass: 2.2
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]+	203.04268	139.7
[M+Na]+	225.02462	149.5
[M+NH4]+	220.06922	145.6
[M+K]+	240.99856	146.7
[M-H]-	201.02812	138.0
[M+Na-2H]-	223.01007	143.6
[M]+	202.03485	140.3
[M]-	202.03595	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe