CID 154685497

2408972-61-0

Structural Information

Molecular Formula
C9H17F2NO3
SMILES
CC(C)(C)OC(=O)NC(C)(CO)C(F)F
InChI
InChI=1S/C9H17F2NO3/c1-8(2,3)15-7(14)12-9(4,5-13)6(10)11/h6,13H,5H2,1-4H3,(H,12,14)
InChIKey
LXKRBFVWQUHXFO-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

225.11765 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12493 149.0
[M+Na]+ 248.10687 154.6
[M-H]- 224.11037 145.3
[M+NH4]+ 243.15147 166.4
[M+K]+ 264.08081 154.5
[M+H-H2O]+ 208.11491 143.1
[M+HCOO]- 270.11585 165.1
[M+CH3COO]- 284.13150 189.4
[M+Na-2H]- 246.09232 152.3
[M]+ 225.11710 147.3
[M]- 225.11820 147.3
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