CID 137512424

3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine hydrochloride

Structural Information

Molecular Formula
C10H9F4N
SMILES
C1C(CN1)C2=C(C=C(C=C2)F)C(F)(F)F
InChI
InChI=1S/C10H9F4N/c11-7-1-2-8(6-4-15-5-6)9(3-7)10(12,13)14/h1-3,6,15H,4-5H2
InChIKey
QDZLUSIIQDGDSE-UHFFFAOYSA-N
Compound name
3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.06711 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07439 143.3
[M+Na]+ 242.05633 151.2
[M-H]- 218.05983 142.4
[M+NH4]+ 237.10093 153.7
[M+K]+ 258.03027 149.5
[M+H-H2O]+ 202.06437 128.8
[M+HCOO]- 264.06531 157.3
[M+CH3COO]- 278.08096 188.8
[M+Na-2H]- 240.04178 146.8
[M]+ 219.06656 143.6
[M]- 219.06766 143.6
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