CID 63990245

1893068-17-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.10161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10889 139.7
[M+Na]+ 220.09083 147.6
[M-H]- 196.09433 143.6
[M+NH4]+ 215.13543 162.3
[M+K]+ 236.06477 143.8
[M+H-H2O]+ 180.09887 132.3
[M+HCOO]- 242.09981 161.3
[M+CH3COO]- 256.11546 185.0
[M+Na-2H]- 218.07628 142.8
[M]+ 197.10106 132.7
[M]- 197.10216 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

No patent data available for this compound.