CID 135726677

4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methoxyphenol

Structural Information

Molecular Formula
C11H10ClNO2S
SMILES
COC1=C(C=CC(=C1)C2=NC(=CS2)CCl)O
InChI
InChI=1S/C11H10ClNO2S/c1-15-10-4-7(2-3-9(10)14)11-13-8(5-12)6-16-11/h2-4,6,14H,5H2,1H3
InChIKey
YVNTZIITHJILNS-UHFFFAOYSA-N
Compound name
4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.01208 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.01936 151.9
[M+Na]+ 278.00130 163.1
[M-H]- 254.00480 157.3
[M+NH4]+ 273.04590 170.8
[M+K]+ 293.97524 157.8
[M+H-H2O]+ 238.00934 146.4
[M+HCOO]- 300.01028 166.1
[M+CH3COO]- 314.02593 187.9
[M+Na-2H]- 275.98675 152.9
[M]+ 255.01153 157.7
[M]- 255.01263 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.