CID 130770558

3-ethenyl-5-fluoroaniline

Structural Information

Molecular Formula
C8H8FN
SMILES
C=CC1=CC(=CC(=C1)F)N
InChI
InChI=1S/C8H8FN/c1-2-6-3-7(9)5-8(10)4-6/h2-5H,1,10H2
InChIKey
DYJMSEWXPFHYSY-UHFFFAOYSA-N
Compound name
3-ethenyl-5-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.06407 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.071346 124.2
[M+Na]+ 160.053288 133.5
[M-H]- 136.056794 126.8
[M+NH4]+ 155.097893 145.9
[M+K]+ 176.027228 130.4
[M+H-H2O]+ 120.061330 118.2
[M+HCOO]- 182.062271 148.7
[M+CH3COO]- 196.077921 176.5
[M+Na-2H]- 158.038736 130.3
[M]+ 137.06352142 120.9
[M]- 137.06461858 120.9
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.