CID 16427152

2,5-dibromo-4-(hydroxymethyl)thiazole

Structural Information

Molecular Formula

C₄H₃Br₂NOS

SMILES

C(C1=C(SC(=N1)Br)Br)O

InChI

InChI=1S/C4H3Br2NOS/c5-3-2(1-8)7-4(6)9-3/h8H,1H2

InChIKey

LYBQIWVOTDMGEP-UHFFFAOYSA-N

Compound name

(2,5-dibromo-1,3-thiazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 270.8302 Da
Monoisotopic Mass: 2.2
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]+	271.83748	121.3
[M+Na]+	293.81942	135.3
[M-H]-	269.82292	127.4
[M+NH4]+	288.86402	142.5
[M+K]+	309.79336	119.6
[M+H-H2O]+	253.82746	130.4
[M+HCOO]-	315.82840	134.4
[M+CH3COO]-	329.84405	194.8
[M+Na-2H]-	291.80487	127.5
[M]+	270.82965	156.9
[M]-	270.83075	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe