CID 165646484

[2-(trifluoromethyl)thiolan-2-yl]methanol

Structural Information

Molecular Formula
C6H9F3OS
SMILES
C1CC(SC1)(CO)C(F)(F)F
InChI
InChI=1S/C6H9F3OS/c7-6(8,9)5(4-10)2-1-3-11-5/h10H,1-4H2
InChIKey
BEGVVQFHWPWOBH-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)thiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.03262 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03990 133.6
[M+Na]+ 209.02184 141.3
[M-H]- 185.02534 131.9
[M+NH4]+ 204.06644 156.8
[M+K]+ 224.99578 139.1
[M+H-H2O]+ 169.02988 127.7
[M+HCOO]- 231.03082 145.8
[M+CH3COO]- 245.04647 173.9
[M+Na-2H]- 207.00729 135.8
[M]+ 186.03207 128.5
[M]- 186.03317 128.5
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

No patent data available for this compound.