CID 2776120

54001-18-2

Structural Information

Molecular Formula
C11H8ClNOS
SMILES
CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)Cl
InChI
InChI=1S/C11H8ClNOS/c1-7-9(10(12)14)15-11(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
ZQWZVEKZFVCSNY-UHFFFAOYSA-N
Compound name
4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

237.00151 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.00879 149.3
[M+Na]+ 259.99073 163.9
[M+NH4]+ 255.03533 158.9
[M+K]+ 275.96467 156.0
[M-H]- 235.99423 153.1
[M+Na-2H]- 257.97618 157.2
[M]+ 237.00096 153.3
[M]- 237.00206 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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