CID 2780707

423768-41-6

Structural Information

Molecular Formula

C₁₁H₉FN₂O

SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C=O

InChI

InChI=1S/C11H9FN2O/c1-8-9(7-15)6-13-14(8)11-4-2-10(12)3-5-11/h2-7H,1H3

InChIKey

XFVNWAPZODECJD-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-5-methylpyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 204.06989 Da
Monoisotopic Mass: 1.9
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]+	205.07717	144.2
[M+Na]+	227.05911	157.9
[M+NH4]+	222.10371	151.7
[M+K]+	243.03305	152.7
[M-H]-	203.06261	145.6
[M+Na-2H]-	225.04456	151.7
[M]+	204.06934	146.4
[M]-	204.07044	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe