CID 3822448

867205-19-4

Structural Information

Molecular Formula

C₁₁H₁₂FNO

SMILES

C1CCN(C1)C2=C(C(=CC=C2)F)C=O

InChI

InChI=1S/C11H12FNO/c12-10-4-3-5-11(9(10)8-14)13-6-1-2-7-13/h3-5,8H,1-2,6-7H2

InChIKey

GCJAQWVHRQAPGF-UHFFFAOYSA-N

Compound name

2-fluoro-6-pyrrolidin-1-ylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 193.09029 Da
Monoisotopic Mass: 2.1
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]+	194.09757	143.6
[M+Na]+	216.07951	155.3
[M+NH4]+	211.12411	151.8
[M+K]+	232.05345	150.0
[M-H]-	192.08301	145.3
[M+Na-2H]-	214.06496	149.9
[M]+	193.08974	145.5
[M]-	193.09084	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe