CID 19882349

4-(s-methylsulfonimidoyl)benzonitrile

Structural Information

Molecular Formula
C8H8N2OS
SMILES
CS(=N)(=O)C1=CC=C(C=C1)C#N
InChI
InChI=1S/C8H8N2OS/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
InChIKey
UUCBANNUDDFVTO-UHFFFAOYSA-N
Compound name
4-(methylsulfonimidoyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

180.03574 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 136.5
[M+Na]+ 203.02496 147.4
[M+NH4]+ 198.06956 141.3
[M+K]+ 218.99890 137.4
[M-H]- 179.02846 131.2
[M+Na-2H]- 201.01041 140.4
[M]+ 180.03519 136.1
[M]- 180.03629 136.1
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

patents stripe