CID 125450509

2375272-87-8

Structural Information

Molecular Formula

C₈H₁₀F₂N₂O

SMILES

C1CC(CC2=C1ON=C2CN)(F)F

InChI

InChI=1S/C8H10F2N2O/c9-8(10)2-1-7-5(3-8)6(4-11)12-13-7/h1-4,11H2

InChIKey

ZAEGIXPCGFXQIO-UHFFFAOYSA-N

Compound name

(5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.07613 Da
Monoisotopic Mass: 0.6
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]+	189.083406	134.8
[M+Na]+	211.065348	144.1
[M-H]-	187.068854	135.8
[M+NH4]+	206.109953	156.4
[M+K]+	227.039288	142.3
[M+H-H2O]+	171.073390	127.5
[M+HCOO]-	233.074331	153.7
[M+CH3COO]-	247.089981	182.4
[M+Na-2H]-	209.050796	140.9
[M]+	188.07558142	130.7
[M]-	188.07667858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.