CID 17805071

2-ethyl-3-fluoroaniline

Structural Information

Molecular Formula
C8H10FN
SMILES
CCC1=C(C=CC=C1F)N
InChI
InChI=1S/C8H10FN/c1-2-6-7(9)4-3-5-8(6)10/h3-5H,2,10H2,1H3
InChIKey
RWNBRROKBLKJDU-UHFFFAOYSA-N
Compound name
2-ethyl-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

139.07973 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08701 125.6
[M+Na]+ 162.06895 134.6
[M-H]- 138.07245 128.1
[M+NH4]+ 157.11355 147.4
[M+K]+ 178.04289 132.1
[M+H-H2O]+ 122.07699 119.5
[M+HCOO]- 184.07793 149.9
[M+CH3COO]- 198.09358 177.4
[M+Na-2H]- 160.05440 131.7
[M]+ 139.07918 123.0
[M]- 139.08028 123.0
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