CID 105435721

1783608-43-4

Structural Information

Molecular Formula

C₇H₈F₂N₂O

SMILES

C1CC(CC2=C1ON=C2N)(F)F

InChI

InChI=1S/C7H8F2N2O/c8-7(9)2-1-5-4(3-7)6(10)11-12-5/h1-3H2,(H2,10,11)

InChIKey

WPGOVSXCFLJZNE-UHFFFAOYSA-N

Compound name

5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 174.06047 Da
Monoisotopic Mass: 1.4
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]+	175.06775	130.1
[M+Na]+	197.04969	139.9
[M-H]-	173.05319	131.3
[M+NH4]+	192.09429	152.3
[M+K]+	213.02363	138.3
[M+H-H2O]+	157.05773	123.0
[M+HCOO]-	219.05867	149.4
[M+CH3COO]-	233.07432	179.4
[M+Na-2H]-	195.03514	136.8
[M]+	174.05992	125.7
[M]-	174.06102	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe