CID 74891453

2-ethynyl-6-fluoropyridin-3-amine

Structural Information

Molecular Formula
C7H5FN2
SMILES
C#CC1=C(C=CC(=N1)F)N
InChI
InChI=1S/C7H5FN2/c1-2-6-5(9)3-4-7(8)10-6/h1,3-4H,9H2
InChIKey
CJVMZYPHKDREEG-UHFFFAOYSA-N
Compound name
2-ethynyl-6-fluoropyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.04367 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05095 123.9
[M+Na]+ 159.03289 135.2
[M-H]- 135.03639 123.5
[M+NH4]+ 154.07749 141.8
[M+K]+ 175.00683 131.6
[M+H-H2O]+ 119.04093 111.1
[M+HCOO]- 181.04187 141.3
[M+CH3COO]- 195.05752 184.1
[M+Na-2H]- 157.01834 129.5
[M]+ 136.04312 115.5
[M]- 136.04422 115.5
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.