CID 67174817

3-(2-chloro-4-fluorophenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C10H11ClFN
SMILES
C1CNCC1C2=C(C=C(C=C2)F)Cl
InChI
InChI=1S/C10H11ClFN/c11-10-5-8(12)1-2-9(10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2
InChIKey
XZEFWOQQVCMRJS-UHFFFAOYSA-N
Compound name
3-(2-chloro-4-fluorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

199.05641 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.063686 140.6
[M+Na]+ 222.045628 149.1
[M-H]- 198.049134 143.0
[M+NH4]+ 217.090233 160.5
[M+K]+ 238.019568 143.4
[M+H-H2O]+ 182.053670 133.6
[M+HCOO]- 244.054611 155.7
[M+CH3COO]- 258.070261 152.9
[M+Na-2H]- 220.031076 143.2
[M]+ 199.05586142 136.4
[M]- 199.05695858 136.4
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

patents stripe