CID 39234450

2-(4-chlorobenzoyl)-4-methyl-1,3-thiazole

Structural Information

Molecular Formula
C11H8ClNOS
SMILES
CC1=CSC(=N1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H8ClNOS/c1-7-6-15-11(13-7)10(14)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKey
KBZKCJDERXTAIV-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.00151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.00879 148.4
[M+Na]+ 259.99073 159.4
[M-H]- 235.99423 155.0
[M+NH4]+ 255.03533 168.4
[M+K]+ 275.96467 154.3
[M+H-H2O]+ 219.99877 142.6
[M+HCOO]- 281.99971 163.0
[M+CH3COO]- 296.01536 162.1
[M+Na-2H]- 257.97618 149.2
[M]+ 237.00096 153.0
[M]- 237.00206 153.0
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.