CID 72191249

1426830-32-1

Structural Information

Molecular Formula

C₁₁H₇F₃N₂O

SMILES

C1=CC(=CC=C1C(F)(F)F)N2C=C(C=N2)C=O

InChI

InChI=1S/C11H7F3N2O/c12-11(13,14)9-1-3-10(4-2-9)16-6-8(7-17)5-15-16/h1-7H

InChIKey

VNUOVMAXQXJRSC-UHFFFAOYSA-N

Compound name

1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 240.05104 Da
Monoisotopic Mass: 2.2
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]+	241.05832	154.1
[M+Na]+	263.04026	164.2
[M+NH4]+	258.08486	159.1
[M+K]+	279.01420	160.3
[M-H]-	239.04376	151.4
[M+Na-2H]-	261.02571	159.4
[M]+	240.05049	154.5
[M]-	240.05159	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe