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]+ 187.013606 131.7
[M+Na]+ 208.995548 142.5
[M-H]- 184.999054 131.9
[M+NH4]+ 204.040153 148.9
[M+K]+ 224.969488 139.7
[M+H-H2O]+ 169.003590 117.4
[M+HCOO]- 231.004531 144.2
[M+CH3COO]- 245.020181 192.7
[M+Na-2H]- 206.980996 134.7
[M]+ 186.00578142 126.1
[M]- 186.00687858 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.