CID 177800532

3-(difluoromethyl)-3-ethylazetidine hydrochloride

Structural Information

Molecular Formula
C6H11F2N
SMILES
CCC1(CNC1)C(F)F
InChI
InChI=1S/C6H11F2N/c1-2-6(5(7)8)3-9-4-6/h5,9H,2-4H2,1H3
InChIKey
CLOSDUIZAGNVBM-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-3-ethylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.08595 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.093226 129.0
[M+Na]+ 158.075168 135.0
[M-H]- 134.078674 127.4
[M+NH4]+ 153.119773 144.3
[M+K]+ 174.049108 136.4
[M+H-H2O]+ 118.083210 118.1
[M+HCOO]- 180.084151 145.4
[M+CH3COO]- 194.099801 174.7
[M+Na-2H]- 156.060616 133.8
[M]+ 135.08540142 132.0
[M]- 135.08649858 132.0
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.