CID 90135030

1609670-88-3

Structural Information

Molecular Formula

C₈H₄ClF₃N₂S

SMILES

C1=C(C=NC2=C1N=C(S2)CCl)C(F)(F)F

InChI

InChI=1S/C8H4ClF3N2S/c9-2-6-14-5-1-4(8(10,11)12)3-13-7(5)15-6/h1,3H,2H2

InChIKey

RGNNEZDCCZAVSQ-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 251.97359 Da
Monoisotopic Mass: 3.0
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]+	252.98087	143.3
[M+Na]+	274.96281	157.2
[M-H]-	250.96631	142.7
[M+NH4]+	270.00741	162.9
[M+K]+	290.93675	151.4
[M+H-H2O]+	234.97085	135.4
[M+HCOO]-	296.97179	153.3
[M+CH3COO]-	310.98744	156.4
[M+Na-2H]-	272.94826	147.4
[M]+	251.97304	146.2
[M]-	251.97414	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe