CID 2736728

148901-53-5

Structural Information

Molecular Formula

C₁₀H₉FN₂O

SMILES

CN(C)C1=C(C(=C(C=C1)C=O)F)C#N

InChI

InChI=1S/C10H9FN2O/c1-13(2)9-4-3-7(6-14)10(11)8(9)5-12/h3-4,6H,1-2H3

InChIKey

ZGQREXNGDAXSQI-UHFFFAOYSA-N

Compound name

6-(dimethylamino)-2-fluoro-3-formylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 192.06989 Da
Monoisotopic Mass: 1.3
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]+	193.07717	141.6
[M+Na]+	215.05911	153.4
[M+NH4]+	210.10371	145.8
[M+K]+	231.03305	144.1
[M-H]-	191.06261	135.6
[M+Na-2H]-	213.04456	145.1
[M]+	192.06934	140.7
[M]-	192.07044	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe