CID 14524

N-(2-fluoroethyl)-aniline hydrochloride

Structural Information

Molecular Formula
C8H10FN
SMILES
C1=CC=C(C=C1)NCCF
InChI
InChI=1S/C8H10FN/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
FTPHSZHORWIRPP-UHFFFAOYSA-N
Compound name
N-(2-fluoroethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

139.07973 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08701 125.6
[M+Na]+ 162.06895 132.6
[M-H]- 138.07245 127.8
[M+NH4]+ 157.11355 146.9
[M+K]+ 178.04289 130.5
[M+H-H2O]+ 122.07699 118.9
[M+HCOO]- 184.07793 150.5
[M+CH3COO]- 198.09358 175.9
[M+Na-2H]- 160.05440 134.2
[M]+ 139.07918 123.2
[M]- 139.08028 123.2
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