CID 122163805

3,3,3-trifluoro-2-hydroxy-2-methylpropanethioamide

Structural Information

Molecular Formula
C4H6F3NOS
SMILES
CC(C(=S)N)(C(F)(F)F)O
InChI
InChI=1S/C4H6F3NOS/c1-3(9,2(8)10)4(5,6)7/h9H,1H3,(H2,8,10)
InChIKey
ZBNQSHXCMRBTRY-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-hydroxy-2-methylpropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.01222 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01950 129.3
[M+Na]+ 196.00144 136.7
[M-H]- 172.00494 124.1
[M+NH4]+ 191.04604 148.6
[M+K]+ 211.97538 134.3
[M+H-H2O]+ 156.00948 122.7
[M+HCOO]- 218.01042 140.2
[M+CH3COO]- 232.02607 176.7
[M+Na-2H]- 193.98689 131.2
[M]+ 173.01167 123.3
[M]- 173.01277 123.3
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

No patent data available for this compound.