CID 132522703

2-[(difluoromethyl)sulfanyl]pyridine-4-carbonitrile

Structural Information

Molecular Formula
C7H4F2N2S
SMILES
C1=CN=C(C=C1C#N)SC(F)F
InChI
InChI=1S/C7H4F2N2S/c8-7(9)12-6-3-5(4-10)1-2-11-6/h1-3,7H
InChIKey
SQLLZMPFCOWSEE-UHFFFAOYSA-N
Compound name
2-(difluoromethylsulfanyl)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.00633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01361 131.7
[M+Na]+ 208.99555 142.5
[M-H]- 184.99905 131.9
[M+NH4]+ 204.04015 148.9
[M+K]+ 224.96949 139.7
[M+H-H2O]+ 169.00359 117.4
[M+HCOO]- 231.00453 144.2
[M+CH3COO]- 245.02018 192.7
[M+Na-2H]- 206.98100 134.7
[M]+ 186.00578 126.1
[M]- 186.00688 126.1
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.