CID 6500524

3-fluoro-4-(pyrrolidin-1-yl)aniline

Structural Information

Molecular Formula
C10H13FN2
SMILES
C1CCN(C1)C2=C(C=C(C=C2)N)F
InChI
InChI=1S/C10H13FN2/c11-9-7-8(12)3-4-10(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKey
NOTAKFXSHAJNDN-UHFFFAOYSA-N
Compound name
3-fluoro-4-pyrrolidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

180.10628 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.11356 137.1
[M+Na]+ 203.09550 144.5
[M-H]- 179.09900 140.8
[M+NH4]+ 198.14010 157.1
[M+K]+ 219.06944 141.1
[M+H-H2O]+ 163.10354 129.1
[M+HCOO]- 225.10448 158.9
[M+CH3COO]- 239.12013 182.3
[M+Na-2H]- 201.08095 140.2
[M]+ 180.10573 131.2
[M]- 180.10683 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

literature stripe

Patent stripe

patents stripe