CID 4962184

N-ethyl-4-fluoroaniline

Structural Information

Molecular Formula
C8H10FN
SMILES
CCNC1=CC=C(C=C1)F
InChI
InChI=1S/C8H10FN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
InChIKey
MBSPOYRKNIDVOA-UHFFFAOYSA-N
Compound name
N-ethyl-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

571
Patents

139.07973 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.087006 125.3
[M+Na]+ 162.068948 133.3
[M-H]- 138.072454 128.0
[M+NH4]+ 157.113553 147.0
[M+K]+ 178.042888 131.2
[M+H-H2O]+ 122.076990 119.0
[M+HCOO]- 184.077931 150.2
[M+CH3COO]- 198.093581 177.0
[M+Na-2H]- 160.054396 133.2
[M]+ 139.07918142 123.4
[M]- 139.08027858 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe