CID 132353782

2138075-65-5

Structural Information

Molecular Formula

C₅H₇F₂N₃O

SMILES

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

InChI

InChI=1S/C5H7F2N3O/c1-10-4(5(6)7)3(2-11)8-9-10/h5,11H,2H2,1H3

InChIKey

ZWSWDALCSUKOIS-UHFFFAOYSA-N

Compound name

[5-(difluoromethyl)-1-methyltriazol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 163.05573 Da
Monoisotopic Mass: -0.5
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	128.7
[M+Na]+	186.04495	138.9
[M-H]-	162.04845	125.0
[M+NH4]+	181.08955	146.8
[M+K]+	202.01889	137.2
[M+H-H2O]+	146.05299	119.9
[M+HCOO]-	208.05393	146.9
[M+CH3COO]-	222.06958	175.6
[M+Na-2H]-	184.03040	132.2
[M]+	163.05518	126.8
[M]-	163.05628	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe