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

1438
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 112.3
[M+Na]+ 117.01447 120.8
[M-H]- 93.017974 111.9
[M+NH4]+ 112.05907 136.5
[M+K]+ 132.98841 120.2
[M+H-H2O]+ 77.022510 107.4
[M+HCOO]- 139.02345 130.5
[M+CH3COO]- 153.03910 165.0
[M+Na-2H]- 114.99992 116.7
[M]+ 94.024701 113.3
[M]- 94.025799 113.3
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