CID 33787113

4-(azocan-1-yl)-3-fluoroaniline

Structural Information

Molecular Formula
C13H19FN2
SMILES
C1CCCN(CCC1)C2=C(C=C(C=C2)N)F
InChI
InChI=1S/C13H19FN2/c14-12-10-11(15)6-7-13(12)16-8-4-2-1-3-5-9-16/h6-7,10H,1-5,8-9,15H2
InChIKey
QKAITWXBEFKRHC-UHFFFAOYSA-N
Compound name
4-(azocan-1-yl)-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.15323 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.160506 150.9
[M+Na]+ 245.142448 155.0
[M-H]- 221.145954 152.5
[M+NH4]+ 240.187053 158.4
[M+K]+ 261.116388 154.3
[M+H-H2O]+ 205.150490 146.1
[M+HCOO]- 267.151431 159.1
[M+CH3COO]- 281.167081 155.3
[M+Na-2H]- 243.127896 150.6
[M]+ 222.15268142 147.3
[M]- 222.15377858 147.3
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.