CID 87610629

Tert-butyl n-[2,2-difluoro-3-(trifluoromethanesulfonyloxy)propyl]carbamate

Structural Information

Molecular Formula
C9H14F5NO5S
SMILES
CC(C)(C)OC(=O)NCC(COS(=O)(=O)C(F)(F)F)(F)F
InChI
InChI=1S/C9H14F5NO5S/c1-7(2,3)20-6(16)15-4-8(10,11)5-19-21(17,18)9(12,13)14/h4-5H2,1-3H3,(H,15,16)
InChIKey
CIGJVMIFKDLALV-UHFFFAOYSA-N
Compound name
[2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

343.05127 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05855 165.6
[M+Na]+ 366.04049 172.0
[M-H]- 342.04399 159.3
[M+NH4]+ 361.08509 178.7
[M+K]+ 382.01443 170.8
[M+H-H2O]+ 326.04853 156.6
[M+HCOO]- 388.04947 173.4
[M+CH3COO]- 402.06512 206.0
[M+Na-2H]- 364.02594 169.5
[M]+ 343.05072 164.5
[M]- 343.05182 164.5
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