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]+ 223.16051 150.9
[M+Na]+ 245.14245 155.0
[M-H]- 221.14595 152.5
[M+NH4]+ 240.18705 158.4
[M+K]+ 261.11639 154.3
[M+H-H2O]+ 205.15049 146.1
[M+HCOO]- 267.15143 159.1
[M+CH3COO]- 281.16708 155.3
[M+Na-2H]- 243.12790 150.6
[M]+ 222.15268 147.3
[M]- 222.15378 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.