CID 67174667

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

199.05641 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06369 140.6
[M+Na]+ 222.04563 149.1
[M-H]- 198.04913 143.0
[M+NH4]+ 217.09023 160.5
[M+K]+ 238.01957 143.4
[M+H-H2O]+ 182.05367 133.6
[M+HCOO]- 244.05461 155.7
[M+CH3COO]- 258.07026 152.9
[M+Na-2H]- 220.03108 143.2
[M]+ 199.05586 136.4
[M]- 199.05696 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