CID 89765477

1-cyclopropyl-2,2,2-trifluoroethyl methanesulfonate

Structural Information

Molecular Formula
C6H9F3O3S
SMILES
CS(=O)(=O)OC(C1CC1)C(F)(F)F
InChI
InChI=1S/C6H9F3O3S/c1-13(10,11)12-5(4-2-3-4)6(7,8)9/h4-5H,2-3H2,1H3
InChIKey
BGIDBWBZNUWFGV-UHFFFAOYSA-N
Compound name
(1-cyclopropyl-2,2,2-trifluoroethyl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

218.02245 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.029726 133.3
[M+Na]+ 241.011668 142.6
[M-H]- 217.015174 134.1
[M+NH4]+ 236.056273 147.2
[M+K]+ 256.985608 140.1
[M+H-H2O]+ 201.019710 125.3
[M+HCOO]- 263.020651 146.1
[M+CH3COO]- 277.036301 186.0
[M+Na-2H]- 238.997116 136.7
[M]+ 218.02190142 135.4
[M]- 218.02299858 135.4
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