CID 71755389

Tert-butyl n-(3,3-difluoro-2-hydroxypropyl)carbamate

Structural Information

Molecular Formula
C8H15F2NO3
SMILES
CC(C)(C)OC(=O)NCC(C(F)F)O
InChI
InChI=1S/C8H15F2NO3/c1-8(2,3)14-7(13)11-4-5(12)6(9)10/h5-6,12H,4H2,1-3H3,(H,11,13)
InChIKey
BSVYMPGKVFFBKO-UHFFFAOYSA-N
Compound name
tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

211.102 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10928 145.6
[M+Na]+ 234.09122 150.9
[M-H]- 210.09472 141.8
[M+NH4]+ 229.13582 163.4
[M+K]+ 250.06516 151.1
[M+H-H2O]+ 194.09926 139.1
[M+HCOO]- 256.10020 162.6
[M+CH3COO]- 270.11585 186.9
[M+Na-2H]- 232.07667 147.1
[M]+ 211.10145 143.3
[M]- 211.10255 143.3
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