CID 30032964

2-chloro-4-(4-methoxyphenyl)thiazole

Structural Information

Molecular Formula
C10H8ClNOS
SMILES
COC1=CC=C(C=C1)C2=CSC(=N2)Cl
InChI
InChI=1S/C10H8ClNOS/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9/h2-6H,1H3
InChIKey
STQGABPTLYUHSE-UHFFFAOYSA-N
Compound name
2-chloro-4-(4-methoxyphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.00151 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.00879 144.4
[M+Na]+ 247.99073 155.9
[M-H]- 223.99423 151.0
[M+NH4]+ 243.03533 165.0
[M+K]+ 263.96467 151.2
[M+H-H2O]+ 207.99877 138.6
[M+HCOO]- 269.99971 160.2
[M+CH3COO]- 284.01536 158.6
[M+Na-2H]- 245.97618 146.8
[M]+ 225.00096 149.9
[M]- 225.00206 149.9
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

patents stripe