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]+ 169.057186 127.2
[M+Na]+ 191.039128 138.1
[M-H]- 167.042634 127.0
[M+NH4]+ 186.083733 144.6
[M+K]+ 207.013068 135.4
[M+H-H2O]+ 151.047170 112.9
[M+HCOO]- 213.048111 144.4
[M+CH3COO]- 227.063761 193.0
[M+Na-2H]- 189.024576 132.2
[M]+ 168.04936142 120.1
[M]- 168.05045858 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.