CID 165942324

Methyl 3-(2-chloro-1,3-benzothiazol-6-yl)propanoate

Structural Information

Molecular Formula
C11H10ClNO2S
SMILES
COC(=O)CCC1=CC2=C(C=C1)N=C(S2)Cl
InChI
InChI=1S/C11H10ClNO2S/c1-15-10(14)5-3-7-2-4-8-9(6-7)16-11(12)13-8/h2,4,6H,3,5H2,1H3
InChIKey
FLIHFKNANQAWMV-UHFFFAOYSA-N
Compound name
methyl 3-(2-chloro-1,3-benzothiazol-6-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.01208 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.01936 152.7
[M+Na]+ 278.00130 166.7
[M+NH4]+ 273.04590 161.9
[M+K]+ 293.97524 159.0
[M-H]- 254.00480 154.5
[M+Na-2H]- 275.98675 158.3
[M]+ 255.01153 156.0
[M]- 255.01263 156.0
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.