CID 105427199

3-(difluoromethyl)-3-methylazetidine hydrochloride

Structural Information

Molecular Formula
C5H9F2N
SMILES
CC1(CNC1)C(F)F
InChI
InChI=1S/C5H9F2N/c1-5(4(6)7)2-8-3-5/h4,8H,2-3H2,1H3
InChIKey
QLDGZMDFMOJNOL-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-3-methylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

121.070305 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07758 124.4
[M+Na]+ 144.05952 130.8
[M-H]- 120.06303 122.9
[M+NH4]+ 139.10413 140.1
[M+K]+ 160.03346 132.4
[M+H-H2O]+ 104.06756 113.7
[M+HCOO]- 166.06851 141.0
[M+CH3COO]- 180.08416 171.8
[M+Na-2H]- 142.04497 129.7
[M]+ 121.06976 127.0
[M]- 121.07085 127.0
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.