CID 3024550

2-(4-fluorophenyl)-3-methyl-1,3-thiazolidine

Structural Information

Molecular Formula
C10H12FNS
SMILES
CN1CCSC1C2=CC=C(C=C2)F
InChI
InChI=1S/C10H12FNS/c1-12-6-7-13-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7H2,1H3
InChIKey
VVWKHNPCHBJUFD-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-3-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

197.06744 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.074716 139.3
[M+Na]+ 220.056658 148.2
[M-H]- 196.060164 143.8
[M+NH4]+ 215.101263 160.1
[M+K]+ 236.030598 144.7
[M+H-H2O]+ 180.064700 132.1
[M+HCOO]- 242.065641 155.6
[M+CH3COO]- 256.081291 152.5
[M+Na-2H]- 218.042106 139.6
[M]+ 197.06689142 137.7
[M]- 197.06798858 137.7
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

patents stripe