CID 3068902

5-chloro-1'-methylspiro(benzo(c)thiophene-1(3h),2'-pyrrolidine)

Structural Information

Molecular Formula
C12H14ClNS
SMILES
CN1CCCC12C3=C(CS2)C=C(C=C3)Cl
InChI
InChI=1S/C12H14ClNS/c1-14-6-2-5-12(14)11-4-3-10(13)7-9(11)8-15-12/h3-4,7H,2,5-6,8H2,1H3
InChIKey
FECILFKSZJLDFG-UHFFFAOYSA-N
Compound name
6-chloro-1'-methylspiro[1H-2-benzothiophene-3,2'-pyrrolidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.05354 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06082 150.4
[M+Na]+ 262.04276 163.0
[M+NH4]+ 257.08736 163.2
[M+K]+ 278.01670 154.3
[M-H]- 238.04626 154.2
[M+Na-2H]- 260.02821 156.9
[M]+ 239.05299 154.3
[M]- 239.05409 154.3
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.