CID 130535105

2567503-81-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.06407 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07135 129.6
[M+Na]+ 172.05329 140.6
[M-H]- 148.05679 130.6
[M+NH4]+ 167.09789 148.4
[M+K]+ 188.02723 136.2
[M+H-H2O]+ 132.06133 117.7
[M+HCOO]- 194.06227 147.8
[M+CH3COO]- 208.07792 187.1
[M+Na-2H]- 170.03874 134.2
[M]+ 149.06352 121.6
[M]- 149.06462 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

No patent data available for this compound.