CID 3050893

67189-33-7

Structural Information

Molecular Formula
C11H14ClNS
SMILES
CC1(N(CCS1)C)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H14ClNS/c1-11(13(2)7-8-14-11)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKey
FRUXFSPQAHGRJJ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05354 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06082 147.0
[M+Na]+ 250.04276 156.9
[M-H]- 226.04626 152.9
[M+NH4]+ 245.08736 169.4
[M+K]+ 266.01670 152.1
[M+H-H2O]+ 210.05080 141.8
[M+HCOO]- 272.05174 159.4
[M+CH3COO]- 286.06739 160.3
[M+Na-2H]- 248.02821 148.3
[M]+ 227.05299 148.8
[M]- 227.05409 148.8
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.