CID 22309140

1236862-32-0

Structural Information

Molecular Formula
C9H9F2NO
SMILES
C1C(CN1)OC2=CC(=C(C=C2)F)F
InChI
InChI=1S/C9H9F2NO/c10-8-2-1-6(3-9(8)11)13-7-4-12-5-7/h1-3,7,12H,4-5H2
InChIKey
APPWDWVMENBZFH-UHFFFAOYSA-N
Compound name
3-(3,4-difluorophenoxy)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

185.06522 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.072496 133.2
[M+Na]+ 208.054438 140.7
[M-H]- 184.057944 134.8
[M+NH4]+ 203.099043 144.8
[M+K]+ 224.028378 140.4
[M+H-H2O]+ 168.062480 119.9
[M+HCOO]- 230.063421 151.4
[M+CH3COO]- 244.079071 182.6
[M+Na-2H]- 206.039886 138.1
[M]+ 185.06467142 137.6
[M]- 185.06576858 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe