CID 22636152

3-fluoro-5-(pyrrolidin-1-yl)aniline

Structural Information

Molecular Formula
C10H13FN2
SMILES
C1CCN(C1)C2=CC(=CC(=C2)N)F
InChI
InChI=1S/C10H13FN2/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4,12H2
InChIKey
SNPUUEFAXHZDGK-UHFFFAOYSA-N
Compound name
3-fluoro-5-pyrrolidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

180.10628 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.113556 137.1
[M+Na]+ 203.095498 144.5
[M-H]- 179.099004 140.8
[M+NH4]+ 198.140103 157.1
[M+K]+ 219.069438 141.1
[M+H-H2O]+ 163.103540 129.1
[M+HCOO]- 225.104481 158.9
[M+CH3COO]- 239.120131 182.3
[M+Na-2H]- 201.080946 140.2
[M]+ 180.10573142 131.2
[M]- 180.10682858 131.2
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