CID 2103948

747411-02-5

Structural Information

Molecular Formula
C11H11ClN2OS
SMILES
CC1=CC(=C(N1C2=NC=CS2)C)C(=O)CCl
InChI
InChI=1S/C11H11ClN2OS/c1-7-5-9(10(15)6-12)8(2)14(7)11-13-3-4-16-11/h3-5H,6H2,1-2H3
InChIKey
QSXXJGJJTCAQPF-UHFFFAOYSA-N
Compound name
2-chloro-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02806 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03534 155.6
[M+Na]+ 277.01728 169.1
[M+NH4]+ 272.06188 164.0
[M+K]+ 292.99122 163.7
[M-H]- 253.02078 157.9
[M+Na-2H]- 275.00273 161.5
[M]+ 254.02751 158.9
[M]- 254.02861 158.9
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

No patent data available for this compound.