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]+ 200.063686 134.7
[M+Na]+ 222.045628 142.9
[M-H]- 198.049134 137.1
[M+NH4]+ 217.090233 146.8
[M+K]+ 238.019568 140.3
[M+H-H2O]+ 182.053670 123.2
[M+HCOO]- 244.054611 149.1
[M+CH3COO]- 258.070261 184.6
[M+Na-2H]- 220.031076 139.6
[M]+ 199.05586142 141.1
[M]- 199.05695858 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.