CID 737199

105799-69-7

Structural Information

Molecular Formula

C₁₀H₆ClFO₂

SMILES

C1C(=C(C2=C(O1)C=CC(=C2)F)Cl)C=O

InChI

InChI=1S/C10H6ClFO2/c11-10-6(4-13)5-14-9-2-1-7(12)3-8(9)10/h1-4H,5H2

InChIKey

RBLLNXBYFXPIPW-UHFFFAOYSA-N

Compound name

4-chloro-6-fluoro-2H-chromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 212.00403 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]+	213.01131	137.4
[M+Na]+	234.99325	148.9
[M-H]-	210.99675	141.9
[M+NH4]+	230.03785	157.4
[M+K]+	250.96719	145.4
[M+H-H2O]+	195.00129	131.8
[M+HCOO]-	257.00223	154.2
[M+CH3COO]-	271.01788	185.2
[M+Na-2H]-	232.97870	145.2
[M]+	212.00348	140.0
[M]-	212.00458	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe