CID 10263747

2,4-difluoro-5-iodopyrimidine

Structural Information

Molecular Formula

SMILES

C1=C(C(=NC(=N1)F)F)I

InChI

InChI=1S/C4HF2IN2/c5-3-2(7)1-8-4(6)9-3/h1H

InChIKey

WUYUFHOCJSYPSX-UHFFFAOYSA-N

Compound name

2,4-difluoro-5-iodopyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.91525 Da
Monoisotopic Mass: 1.7
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]+	242.92253	121.4
[M+Na]+	264.90447	125.6
[M-H]-	240.90797	113.8
[M+NH4]+	259.94907	136.2
[M+K]+	280.87841	129.4
[M+H-H2O]+	224.91251	110.0
[M+HCOO]-	286.91345	137.9
[M+CH3COO]-	300.92910	181.3
[M+Na-2H]-	262.88992	117.9
[M]+	241.91470	116.9
[M]-	241.91580	116.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.