CID 138987894

1870076-40-6

Structural Information

Molecular Formula
C4H4F3NO3S
SMILES
C(C#N)S(=O)(=O)OCC(F)(F)F
InChI
InChI=1S/C4H4F3NO3S/c5-4(6,7)3-11-12(9,10)2-1-8/h2-3H2
InChIKey
GLFYAWZPFFRAOV-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl cyanomethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.9864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.99368 135.5
[M+Na]+ 225.97562 145.7
[M-H]- 201.97912 133.7
[M+NH4]+ 221.02022 153.0
[M+K]+ 241.94956 145.7
[M+H-H2O]+ 185.98366 122.5
[M+HCOO]- 247.98460 146.8
[M+CH3COO]- 262.00025 191.3
[M+Na-2H]- 223.96107 139.8
[M]+ 202.98585 131.1
[M]- 202.98695 131.1
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

No patent data available for this compound.