CID 4133924

2,2,2-trifluoroethanethiol

Structural Information

Molecular Formula
C2H3F3S
SMILES
C(C(F)(F)F)S
InChI
InChI=1S/C2H3F3S/c3-2(4,5)1-6/h6H,1H2
InChIKey
RYRLLAOLJVDVNN-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7952
Patents

115.99075 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.99803 112.8
[M+Na]+ 138.97997 122.1
[M-H]- 114.98347 110.0
[M+NH4]+ 134.02457 136.0
[M+K]+ 154.95391 121.3
[M+H-H2O]+ 98.988010 106.5
[M+HCOO]- 160.98895 127.7
[M+CH3COO]- 175.00460 167.2
[M+Na-2H]- 136.96542 117.1
[M]+ 115.99020 110.4
[M]- 115.99130 110.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe