CID 117899709

4,4-difluorocyclohexane-1-thiol

Structural Information

Molecular Formula
C6H10F2S
SMILES
C1CC(CCC1S)(F)F
InChI
InChI=1S/C6H10F2S/c7-6(8)3-1-5(9)2-4-6/h5,9H,1-4H2
InChIKey
TUDPCVKWDUEBPO-UHFFFAOYSA-N
Compound name
4,4-difluorocyclohexane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

152.04713 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05441 125.0
[M+Na]+ 175.03635 132.4
[M-H]- 151.03985 126.0
[M+NH4]+ 170.08095 148.6
[M+K]+ 191.01029 130.7
[M+H-H2O]+ 135.04439 119.1
[M+HCOO]- 197.04533 138.7
[M+CH3COO]- 211.06098 173.5
[M+Na-2H]- 173.02180 127.9
[M]+ 152.04658 120.2
[M]- 152.04768 120.2
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