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]+ 219.02973 133.3
[M+Na]+ 241.01167 142.6
[M-H]- 217.01517 134.1
[M+NH4]+ 236.05627 147.2
[M+K]+ 256.98561 140.1
[M+H-H2O]+ 201.01971 125.3
[M+HCOO]- 263.02065 146.1
[M+CH3COO]- 277.03630 186.0
[M+Na-2H]- 238.99712 136.7
[M]+ 218.02190 135.4
[M]- 218.02300 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