CID 155245392

2518152-25-3

Structural Information

Molecular Formula
C5H8F3NO
SMILES
CC1(CNC1)OC(F)(F)F
InChI
InChI=1S/C5H8F3NO/c1-4(2-9-3-4)10-5(6,7)8/h9H,2-3H2,1H3
InChIKey
IUGPHTYCBQZWQM-UHFFFAOYSA-N
Compound name
3-methyl-3-(trifluoromethoxy)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

155.0558 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06308 129.5
[M+Na]+ 178.04502 136.7
[M-H]- 154.04852 126.9
[M+NH4]+ 173.08962 144.1
[M+K]+ 194.01896 138.2
[M+H-H2O]+ 138.05306 118.4
[M+HCOO]- 200.05400 144.8
[M+CH3COO]- 214.06965 175.2
[M+Na-2H]- 176.03047 136.1
[M]+ 155.05525 132.4
[M]- 155.05635 132.4
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