CID 3087738

2-(4-fluorophenyl)-5-methylthiazolidine

Structural Information

Molecular Formula
C10H12FNS
SMILES
CC1CNC(S1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H12FNS/c1-7-6-12-10(13-7)8-2-4-9(11)5-3-8/h2-5,7,10,12H,6H2,1H3
InChIKey
OZQOPXFNKKAFOI-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06744 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07472 139.5
[M+Na]+ 220.05666 148.0
[M-H]- 196.06016 142.6
[M+NH4]+ 215.10126 159.6
[M+K]+ 236.03060 143.5
[M+H-H2O]+ 180.06470 132.6
[M+HCOO]- 242.06564 154.4
[M+CH3COO]- 256.08129 152.0
[M+Na-2H]- 218.04211 139.5
[M]+ 197.06689 136.1
[M]- 197.06799 136.1
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.