CID 71669205

1379811-91-2

Structural Information

Molecular Formula

C₇H₄F₅NOS

SMILES

C1=CC2=C(C=C1S(F)(F)(F)(F)F)OC=N2

InChI

InChI=1S/C7H4F5NOS/c8-15(9,10,11,12)5-1-2-6-7(3-5)14-4-13-6/h1-4H

InChIKey

UVESQHYGHBYGAL-UHFFFAOYSA-N

Compound name

1,3-benzoxazol-6-yl(pentafluoro)-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 244.99338 Da
Monoisotopic Mass: 4.9
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]+	246.00066	146.7
[M+Na]+	267.98260	154.6
[M+NH4]+	263.02720	151.2
[M+K]+	283.95654	149.9
[M-H]-	243.98610	143.0
[M+Na-2H]-	265.96805	148.9
[M]+	244.99283	146.8
[M]-	244.99393	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe