CID 75530461

3-(trifluoromethoxy)azetidine hydrochloride

Structural Information

Molecular Formula
C4H6F3NO
SMILES
C1C(CN1)OC(F)(F)F
InChI
InChI=1S/C4H6F3NO/c5-4(6,7)9-3-1-8-2-3/h3,8H,1-2H2
InChIKey
AQJPOLHQCSQUHQ-UHFFFAOYSA-N
Compound name
3-(trifluoromethoxy)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

141.04015 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04743 123.2
[M+Na]+ 164.02937 129.9
[M-H]- 140.03287 120.3
[M+NH4]+ 159.07397 136.3
[M+K]+ 180.00331 131.6
[M+H-H2O]+ 124.03741 110.9
[M+HCOO]- 186.03835 138.9
[M+CH3COO]- 200.05400 172.7
[M+Na-2H]- 162.01482 129.4
[M]+ 141.03960 125.5
[M]- 141.04070 125.5
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

patents stripe