CID 28581820

2-fluoro-n-[2-(morpholin-4-yl)ethyl]aniline

Structural Information

Molecular Formula
C12H17FN2O
SMILES
C1COCCN1CCNC2=CC=CC=C2F
InChI
InChI=1S/C12H17FN2O/c13-11-3-1-2-4-12(11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10H2
InChIKey
XTUKLPCGSNKBGD-UHFFFAOYSA-N
Compound name
2-fluoro-N-(2-morpholin-4-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13249 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.139766 150.2
[M+Na]+ 247.121708 154.8
[M-H]- 223.125214 153.7
[M+NH4]+ 242.166313 165.0
[M+K]+ 263.095648 152.7
[M+H-H2O]+ 207.129750 140.8
[M+HCOO]- 269.130691 168.9
[M+CH3COO]- 283.146341 190.3
[M+Na-2H]- 245.107156 156.2
[M]+ 224.13194142 145.4
[M]- 224.13303858 145.4
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.