CID 13465231

3-fluoro-3-phenylazetidine hydrochloride

Structural Information

Molecular Formula
C9H10FN
SMILES
C1C(CN1)(C2=CC=CC=C2)F
InChI
InChI=1S/C9H10FN/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5,11H,6-7H2
InChIKey
KKQIRJHHNBEYIN-UHFFFAOYSA-N
Compound name
3-fluoro-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

151.07973 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.087006 128.8
[M+Na]+ 174.068948 135.7
[M-H]- 150.072454 131.6
[M+NH4]+ 169.113553 143.4
[M+K]+ 190.042888 135.4
[M+H-H2O]+ 134.076990 117.4
[M+HCOO]- 196.077931 148.1
[M+CH3COO]- 210.093581 175.4
[M+Na-2H]- 172.054396 136.8
[M]+ 151.07918142 132.5
[M]- 151.08027858 132.5
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