CID 62802030

1-(2,4-difluorophenyl)cyclopentan-1-amine

Structural Information

Molecular Formula
C11H13F2N
SMILES
C1CCC(C1)(C2=C(C=C(C=C2)F)F)N
InChI
InChI=1S/C11H13F2N/c12-8-3-4-9(10(13)7-8)11(14)5-1-2-6-11/h3-4,7H,1-2,5-6,14H2
InChIKey
OYAZOLKGTMSJIF-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

197.10161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.108886 139.7
[M+Na]+ 220.090828 147.6
[M-H]- 196.094334 143.6
[M+NH4]+ 215.135433 162.3
[M+K]+ 236.064768 143.8
[M+H-H2O]+ 180.098870 132.3
[M+HCOO]- 242.099811 161.3
[M+CH3COO]- 256.115461 185.0
[M+Na-2H]- 218.076276 142.8
[M]+ 197.10106142 132.7
[M]- 197.10215858 132.7
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