CID 165995229

3,3-difluoro-6-oxa-1-azaspiro[3.3]heptane hydrochloride

Structural Information

Molecular Formula
C5H7F2NO
SMILES
C1C(C2(N1)COC2)(F)F
InChI
InChI=1S/C5H7F2NO/c6-5(7)1-8-4(5)2-9-3-4/h8H,1-3H2
InChIKey
WBVDPLJKYDITNZ-UHFFFAOYSA-N
Compound name
3,3-difluoro-6-oxa-1-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.04958 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05686 117.2
[M+Na]+ 158.03880 123.5
[M-H]- 134.04230 119.2
[M+NH4]+ 153.08340 126.6
[M+K]+ 174.01274 128.3
[M+H-H2O]+ 118.04684 104.4
[M+HCOO]- 180.04778 131.9
[M+CH3COO]- 194.06343 181.5
[M+Na-2H]- 156.02425 125.9
[M]+ 135.04903 129.1
[M]- 135.05013 129.1
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

No patent data available for this compound.