CID 130095854

1805305-30-9

Structural Information

Molecular Formula
C8H6F2N2
SMILES
CC1=CC(=CN=C1C(F)F)C#N
InChI
InChI=1S/C8H6F2N2/c1-5-2-6(3-11)4-12-7(5)8(9)10/h2,4,8H,1H3
InChIKey
QMOPCPTXSXSLHG-UHFFFAOYSA-N
Compound name
6-(difluoromethyl)-5-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.04991 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05719 127.2
[M+Na]+ 191.03913 138.1
[M-H]- 167.04263 127.0
[M+NH4]+ 186.08373 144.6
[M+K]+ 207.01307 135.4
[M+H-H2O]+ 151.04717 112.9
[M+HCOO]- 213.04811 144.4
[M+CH3COO]- 227.06376 193.0
[M+Na-2H]- 189.02458 132.2
[M]+ 168.04936 120.1
[M]- 168.05046 120.1
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.