CID 55250938

3-(4-fluorophenyl)azetidine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

151.07973 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.087006 126.8
[M+Na]+ 174.068948 133.6
[M-H]- 150.072454 129.4
[M+NH4]+ 169.113553 139.6
[M+K]+ 190.042888 133.2
[M+H-H2O]+ 134.076990 114.6
[M+HCOO]- 196.077931 146.0
[M+CH3COO]- 210.093581 176.9
[M+Na-2H]- 172.054396 133.2
[M]+ 151.07918142 130.6
[M]- 151.08027858 130.6
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