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]+ 138.07135 124.2
[M+Na]+ 160.05329 133.5
[M-H]- 136.05679 126.8
[M+NH4]+ 155.09789 145.9
[M+K]+ 176.02723 130.4
[M+H-H2O]+ 120.06133 118.2
[M+HCOO]- 182.06227 148.7
[M+CH3COO]- 196.07792 176.5
[M+Na-2H]- 158.03874 130.3
[M]+ 137.06352 120.9
[M]- 137.06462 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.