CID 14524

Aniline, n-(2-fluoroethyl)-, 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

51
Patents

139.07973 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.087006 125.6
[M+Na]+ 162.068948 132.6
[M-H]- 138.072454 127.8
[M+NH4]+ 157.113553 146.9
[M+K]+ 178.042888 130.5
[M+H-H2O]+ 122.076990 118.9
[M+HCOO]- 184.077931 150.5
[M+CH3COO]- 198.093581 175.9
[M+Na-2H]- 160.054396 134.2
[M]+ 139.07918142 123.2
[M]- 139.08027858 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