CID 53395627

3-fluoro-6-methylpyridine-2-carbonitrile

Structural Information

Molecular Formula
C7H5FN2
SMILES
CC1=NC(=C(C=C1)F)C#N
InChI
InChI=1S/C7H5FN2/c1-5-2-3-6(8)7(4-9)10-5/h2-3H,1H3
InChIKey
ZONNTEGSIZOHGM-UHFFFAOYSA-N
Compound name
3-fluoro-6-methylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

136.04367 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05095 121.2
[M+Na]+ 159.03289 132.8
[M-H]- 135.03639 122.4
[M+NH4]+ 154.07749 139.9
[M+K]+ 175.00683 130.3
[M+H-H2O]+ 119.04093 108.0
[M+HCOO]- 181.04187 140.5
[M+CH3COO]- 195.05752 187.1
[M+Na-2H]- 157.01834 128.3
[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

patents stripe