CID 24695971

2-(trifluoromethyl)-1,3-thiazolidine

Structural Information

Molecular Formula
C4H6F3NS
SMILES
C1CSC(N1)C(F)(F)F
InChI
InChI=1S/C4H6F3NS/c5-4(6,7)3-8-1-2-9-3/h3,8H,1-2H2
InChIKey
FGTZSYSBYNJFDC-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

157.0173 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02458 125.7
[M+Na]+ 180.00652 133.6
[M-H]- 156.01002 122.7
[M+NH4]+ 175.05112 146.9
[M+K]+ 195.98046 131.3
[M+H-H2O]+ 140.01456 118.3
[M+HCOO]- 202.01550 137.1
[M+CH3COO]- 216.03115 169.0
[M+Na-2H]- 177.99197 127.1
[M]+ 157.01675 118.6
[M]- 157.01785 118.6
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