CID 2120111

2-(5-bromo-2-methoxyphenyl)-4-(chloromethyl)-1,3-thiazole hydrochloride

Structural Information

Molecular Formula
C11H9BrClNOS
SMILES
COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CCl
InChI
InChI=1S/C11H9BrClNOS/c1-15-10-3-2-7(12)4-9(10)11-14-8(5-13)6-16-11/h2-4,6H,5H2,1H3
InChIKey
KTNHWPLWDREXMZ-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-methoxyphenyl)-4-(chloromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

316.92767 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.93495 151.7
[M+Na]+ 339.91689 167.2
[M-H]- 315.92039 161.1
[M+NH4]+ 334.96149 172.9
[M+K]+ 355.89083 153.8
[M+H-H2O]+ 299.92493 152.6
[M+HCOO]- 361.92587 165.5
[M+CH3COO]- 375.94152 167.6
[M+Na-2H]- 337.90234 155.2
[M]+ 316.92712 176.4
[M]- 316.92822 176.4
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.