CID 28354796

1082871-27-9

Structural Information

Molecular Formula
C12H12ClNO2S
SMILES
COC1=CC=C(C=C1)OCC2=NC(=CS2)CCl
InChI
InChI=1S/C12H12ClNO2S/c1-15-10-2-4-11(5-3-10)16-7-12-14-9(6-13)8-17-12/h2-5,8H,6-7H2,1H3
InChIKey
HUBOMJBOQLQYCF-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.02774 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03502 156.6
[M+Na]+ 292.01696 167.0
[M-H]- 268.02046 162.8
[M+NH4]+ 287.06156 175.4
[M+K]+ 307.99090 162.3
[M+H-H2O]+ 252.02500 150.3
[M+HCOO]- 314.02594 172.0
[M+CH3COO]- 328.04159 192.3
[M+Na-2H]- 290.00241 158.1
[M]+ 269.02719 164.2
[M]- 269.02829 164.2
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.