CID 26598111

1803584-00-0

Structural Information

Molecular Formula

C₆H₆F₃NOS

SMILES

CC1=NC(=C(S1)CO)C(F)(F)F

InChI

InChI=1S/C6H6F3NOS/c1-3-10-5(6(7,8)9)4(2-11)12-3/h11H,2H2,1H3

InChIKey

UUAQJWNNEXFILD-UHFFFAOYSA-N

Compound name

[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 197.01222 Da
Monoisotopic Mass: 1.4
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]+	198.019496	133.5
[M+Na]+	220.001438	144.3
[M-H]-	196.004944	131.7
[M+NH4]+	215.046043	153.8
[M+K]+	235.975378	141.2
[M+H-H2O]+	180.009480	126.2
[M+HCOO]-	242.010421	147.3
[M+CH3COO]-	256.026071	178.4
[M+Na-2H]-	217.986886	134.7
[M]+	197.01167142	132.2
[M]-	197.01276858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe