CID 122673436

2041076-50-8

Structural Information

Molecular Formula

C₅H₇F₂N₃O

SMILES

CN1C=C(C(=N1)OC(F)F)N

InChI

InChI=1S/C5H7F2N3O/c1-10-2-3(8)4(9-10)11-5(6)7/h2,5H,8H2,1H3

InChIKey

NQCFOMROVSUKSY-UHFFFAOYSA-N

Compound name

3-(difluoromethoxy)-1-methylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 163.05573 Da
Monoisotopic Mass: 0.8
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]+	164.06301	127.9
[M+Na]+	186.04495	137.6
[M-H]-	162.04845	126.5
[M+NH4]+	181.08955	147.4
[M+K]+	202.01889	136.4
[M+H-H2O]+	146.05299	119.3
[M+HCOO]-	208.05393	149.4
[M+CH3COO]-	222.06958	179.5
[M+Na-2H]-	184.03040	131.4
[M]+	163.05518	125.5
[M]-	163.05628	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe