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 153.7
[M+Na]+ 262.04276 164.6
[M-H]- 238.04626 159.6
[M+NH4]+ 257.08736 179.0
[M+K]+ 278.01670 159.4
[M+H-H2O]+ 222.05080 149.2
[M+HCOO]- 284.05174 165.2
[M+CH3COO]- 298.06739 167.0
[M+Na-2H]- 260.02821 154.2
[M]+ 239.05299 155.3
[M]- 239.05409 155.3
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.