CID 50998787

4-ethynyl-2-fluoroaniline

Structural Information

Molecular Formula
C8H6FN
SMILES
C#CC1=CC(=C(C=C1)N)F
InChI
InChI=1S/C8H6FN/c1-2-6-3-4-8(10)7(9)5-6/h1,3-5H,10H2
InChIKey
WVXFDKDQIWTWIN-UHFFFAOYSA-N
Compound name
4-ethynyl-2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

135.04843 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05571 127.8
[M+Na]+ 158.03765 140.2
[M+NH4]+ 153.08225 132.9
[M+K]+ 174.01159 130.5
[M-H]- 134.04115 121.4
[M+Na-2H]- 156.02310 131.7
[M]+ 135.04788 126.9
[M]- 135.04898 126.9
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

patents stripe