CID 16780120

3-[(2-chloro-6-fluorophenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula
C10H11ClFN
SMILES
C1C(CN1)CC2=C(C=CC=C2Cl)F
InChI
InChI=1S/C10H11ClFN/c11-9-2-1-3-10(12)8(9)4-7-5-13-6-7/h1-3,7,13H,4-6H2
InChIKey
VUTCBOLQNNESMH-UHFFFAOYSA-N
Compound name
3-[(2-chloro-6-fluorophenyl)methyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05641 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06369 134.7
[M+Na]+ 222.04563 142.9
[M-H]- 198.04913 137.1
[M+NH4]+ 217.09023 146.8
[M+K]+ 238.01957 140.3
[M+H-H2O]+ 182.05367 123.2
[M+HCOO]- 244.05461 149.1
[M+CH3COO]- 258.07026 184.6
[M+Na-2H]- 220.03108 139.6
[M]+ 199.05586 141.1
[M]- 199.05696 141.1
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

No patent data available for this compound.