CID 167719850

Tert-butyl2-difluoromethanesulfonylacetate

Structural Information

Molecular Formula
C7H12F2O4S
SMILES
CC(C)(C)OC(=O)CS(=O)(=O)C(F)F
InChI
InChI=1S/C7H12F2O4S/c1-7(2,3)13-5(10)4-14(11,12)6(8)9/h6H,4H2,1-3H3
InChIKey
IPWKVWSJUNWABE-UHFFFAOYSA-N
Compound name
tert-butyl 2-(difluoromethylsulfonyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.04243 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04971 143.2
[M+Na]+ 253.03165 150.8
[M-H]- 229.03515 141.2
[M+NH4]+ 248.07625 161.6
[M+K]+ 269.00559 150.2
[M+H-H2O]+ 213.03969 137.2
[M+HCOO]- 275.04063 155.6
[M+CH3COO]- 289.05628 185.8
[M+Na-2H]- 251.01710 145.0
[M]+ 230.04188 145.7
[M]- 230.04298 145.7
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.