CID 130535168

2287289-94-3

Structural Information

Molecular Formula
C9H8FN
SMILES
C#CC1=CC(=C(C=C1)CN)F
InChI
InChI=1S/C9H8FN/c1-2-7-3-4-8(6-11)9(10)5-7/h1,3-5H,6,11H2
InChIKey
WMWMWWDYAROQBE-UHFFFAOYSA-N
Compound name
(4-ethynyl-2-fluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

149.06407 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.071346 129.6
[M+Na]+ 172.053288 140.6
[M-H]- 148.056794 130.6
[M+NH4]+ 167.097893 148.4
[M+K]+ 188.027228 136.2
[M+H-H2O]+ 132.061330 117.7
[M+HCOO]- 194.062271 147.8
[M+CH3COO]- 208.077921 187.1
[M+Na-2H]- 170.038736 134.2
[M]+ 149.06352142 121.6
[M]- 149.06461858 121.6
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