CID 177801953

3-(1,1-difluoro-2-methoxyethyl)-3-methoxyazetidine hydrochloride

Structural Information

Molecular Formula
C7H13F2NO2
SMILES
COCC(C1(CNC1)OC)(F)F
InChI
InChI=1S/C7H13F2NO2/c1-11-5-7(8,9)6(12-2)3-10-4-6/h10H,3-5H2,1-2H3
InChIKey
WDUFJQYGPGYUDP-UHFFFAOYSA-N
Compound name
3-(1,1-difluoro-2-methoxyethyl)-3-methoxyazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09143 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.098706 138.2
[M+Na]+ 204.080648 144.2
[M-H]- 180.084154 136.5
[M+NH4]+ 199.125253 151.6
[M+K]+ 220.054588 146.2
[M+H-H2O]+ 164.088690 127.4
[M+HCOO]- 226.089631 154.1
[M+CH3COO]- 240.105281 180.9
[M+Na-2H]- 202.066096 144.4
[M]+ 181.09088142 144.5
[M]- 181.09197858 144.5
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

No patent data available for this compound.