CID 84221994

2418709-86-9

Structural Information

Molecular Formula

C₄H₅F₂N₃O

SMILES

C(C1=NOC(=N1)C(F)F)N

InChI

InChI=1S/C4H5F2N3O/c5-3(6)4-8-2(1-7)9-10-4/h3H,1,7H2

InChIKey

QJCJMJHITQORCA-UHFFFAOYSA-N

Compound name

[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.04007 Da
Monoisotopic Mass: -0.3
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]+	150.04735	124.1
[M+Na]+	172.02929	133.5
[M-H]-	148.03279	123.1
[M+NH4]+	167.07389	142.7
[M+K]+	188.00323	133.4
[M+H-H2O]+	132.03733	115.5
[M+HCOO]-	194.03827	145.0
[M+CH3COO]-	208.05392	175.2
[M+Na-2H]-	170.01474	129.6
[M]+	149.03952	121.7
[M]-	149.04062	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.