CID 61472650

1-(4-chloro-2-fluorophenyl)pyrrolidin-3-amine

Structural Information

Molecular Formula
C10H12ClFN2
SMILES
C1CN(CC1N)C2=C(C=C(C=C2)Cl)F
InChI
InChI=1S/C10H12ClFN2/c11-7-1-2-10(9(12)5-7)14-4-3-8(13)6-14/h1-2,5,8H,3-4,6,13H2
InChIKey
KCQYDDPNSIPFMZ-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-fluorophenyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0673 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07458 144.9
[M+Na]+ 237.05652 153.9
[M-H]- 213.06002 148.5
[M+NH4]+ 232.10112 164.6
[M+K]+ 253.03046 148.6
[M+H-H2O]+ 197.06456 137.6
[M+HCOO]- 259.06550 161.9
[M+CH3COO]- 273.08115 187.2
[M+Na-2H]- 235.04197 146.6
[M]+ 214.06675 141.4
[M]- 214.06785 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.