CID 21255083

170655-60-4

Structural Information

Molecular Formula
C4H7F3S
SMILES
C(CC(F)(F)F)CS
InChI
InChI=1S/C4H7F3S/c5-4(6,7)2-1-3-8/h8H,1-3H2
InChIKey
WBIVIQOXZMOCPK-UHFFFAOYSA-N
Compound name
4,4,4-trifluorobutane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1286
Patents

144.02205 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.02933 122.0
[M+Na]+ 167.01127 130.5
[M-H]- 143.01477 118.9
[M+NH4]+ 162.05587 144.1
[M+K]+ 182.98521 129.1
[M+H-H2O]+ 127.01931 115.3
[M+HCOO]- 189.02025 136.3
[M+CH3COO]- 203.03590 173.3
[M+Na-2H]- 164.99672 125.3
[M]+ 144.02150 120.4
[M]- 144.02260 120.4
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