CID 46911841

206201-65-2

Structural Information

Molecular Formula
C7H4F2N2
SMILES
C1=CC(=NC=C1C#N)C(F)F
InChI
InChI=1S/C7H4F2N2/c8-7(9)6-2-1-5(3-10)4-11-6/h1-2,4,7H
InChIKey
ZHDDGXQEIHENTC-UHFFFAOYSA-N
Compound name
6-(difluoromethyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.03426 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.041536 123.6
[M+Na]+ 177.023478 134.0
[M-H]- 153.026984 123.1
[M+NH4]+ 172.068083 141.1
[M+K]+ 192.997418 131.4
[M+H-H2O]+ 137.031520 109.1
[M+HCOO]- 199.032461 141.0
[M+CH3COO]- 213.048111 189.3
[M+Na-2H]- 175.008926 129.6
[M]+ 154.03371142 115.8
[M]- 154.03480858 115.8
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