CID 42956328

2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H13ClFN
SMILES
C1CC(NC1)CC2=C(C=CC=C2Cl)F
InChI
InChI=1S/C11H13ClFN/c12-10-4-1-5-11(13)9(10)7-8-3-2-6-14-8/h1,4-5,8,14H,2-3,6-7H2
InChIKey
ZRNARRDQRDXRDY-UHFFFAOYSA-N
Compound name
2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.07205 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07933 145.2
[M+Na]+ 236.06127 153.3
[M-H]- 212.06477 147.5
[M+NH4]+ 231.10587 164.5
[M+K]+ 252.03521 147.3
[M+H-H2O]+ 196.06931 138.0
[M+HCOO]- 258.07025 160.0
[M+CH3COO]- 272.08590 157.1
[M+Na-2H]- 234.04672 147.2
[M]+ 213.07150 141.4
[M]- 213.07260 141.4
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.