CID 97182145

1443279-59-1

Structural Information

Molecular Formula

C₇H₇F₃N₂O

SMILES

CCN1C(=CC(=N1)C(F)(F)F)C=O

InChI

InChI=1S/C7H7F3N2O/c1-2-12-5(4-13)3-6(11-12)7(8,9)10/h3-4H,2H2,1H3

InChIKey

ZSWKBVVPDPLSRV-UHFFFAOYSA-N

Compound name

1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.05104 Da
Monoisotopic Mass: 1.2
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]+	193.058316	134.5
[M+Na]+	215.040258	145.4
[M-H]-	191.043764	132.3
[M+NH4]+	210.084863	153.7
[M+K]+	231.014198	143.2
[M+H-H2O]+	175.048300	125.9
[M+HCOO]-	237.049241	153.5
[M+CH3COO]-	251.064891	182.1
[M+Na-2H]-	213.025706	139.0
[M]+	192.05049142	132.8
[M]-	192.05158858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe