CID 134481316

Tert-butyl 4,4-difluoro-5-hydroxypentanoate

Structural Information

Molecular Formula
C9H16F2O3
SMILES
CC(C)(C)OC(=O)CCC(CO)(F)F
InChI
InChI=1S/C9H16F2O3/c1-8(2,3)14-7(13)4-5-9(10,11)6-12/h12H,4-6H2,1-3H3
InChIKey
XDAXPOYRANQCEN-UHFFFAOYSA-N
Compound name
tert-butyl 4,4-difluoro-5-hydroxypentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

210.10675 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11403 145.2
[M+Na]+ 233.09597 152.0
[M-H]- 209.09947 141.6
[M+NH4]+ 228.14057 163.7
[M+K]+ 249.06991 151.4
[M+H-H2O]+ 193.10401 139.8
[M+HCOO]- 255.10495 161.4
[M+CH3COO]- 269.12060 184.3
[M+Na-2H]- 231.08142 149.6
[M]+ 210.10620 145.1
[M]- 210.10730 145.1
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