CID 15171124

131748-94-2

Structural Information

Molecular Formula

C₅H₅F₂NOS

SMILES

CC1=CN=C(S1)OC(F)F

InChI

InChI=1S/C5H5F2NOS/c1-3-2-8-5(10-3)9-4(6)7/h2,4H,1H3

InChIKey

YJVQCZAJQGNXJG-UHFFFAOYSA-N

Compound name

2-(difluoromethoxy)-5-methyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 165.006 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]+	166.01328	126.0
[M+Na]+	187.99522	136.1
[M-H]-	163.99872	126.6
[M+NH4]+	183.03982	147.9
[M+K]+	203.96916	134.8
[M+H-H2O]+	148.00326	118.8
[M+HCOO]-	210.00420	143.2
[M+CH3COO]-	224.01985	175.4
[M+Na-2H]-	185.98067	127.5
[M]+	165.00545	127.0
[M]-	165.00655	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe