CID 3030914

3-fluoropropane-1-thiol

Structural Information

Molecular Formula
C3H7FS
SMILES
C(CF)CS
InChI
InChI=1S/C3H7FS/c4-2-1-3-5/h5H,1-3H2
InChIKey
RXUKMWGETCFZCU-UHFFFAOYSA-N
Compound name
3-fluoropropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

727
Patents

94.02525 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.032526 115.4
[M+Na]+ 117.01447 125.9
[M+NH4]+ 112.05907 124.7
[M+K]+ 132.98841 117.8
[M-H]- 93.017974 114.9
[M+Na-2H]- 114.99992 119.5
[M]+ 94.024701 117.1
[M]- 94.025799 117.1
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

patents stripe