CID 86732277

1624606-96-7

Structural Information

Molecular Formula

C₆H₂ClF₂N₃S

SMILES

C1=NC2=C(C(=N1)Cl)N=C(S2)C(F)F

InChI

InChI=1S/C6H2ClF2N3S/c7-3-2-5(11-1-10-3)13-6(12-2)4(8)9/h1,4H

InChIKey

IHQNDGGDVOEBFB-UHFFFAOYSA-N

Compound name

7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 220.9626 Da
Monoisotopic Mass: 2.6
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]+	221.969876	133.5
[M+Na]+	243.951818	147.5
[M-H]-	219.955324	132.9
[M+NH4]+	238.996423	152.8
[M+K]+	259.925758	142.6
[M+H-H2O]+	203.959860	125.7
[M+HCOO]-	265.960801	144.4
[M+CH3COO]-	279.976451	147.1
[M+Na-2H]-	241.937266	137.3
[M]+	220.96205142	137.2
[M]-	220.96314858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe