CID 476607

1-methylsulfonyl-2h-quinoline-2-carbonitrile

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
CS(=O)(=O)N1C(C=CC2=CC=CC=C21)C#N
InChI
InChI=1S/C11H10N2O2S/c1-16(14,15)13-10(8-12)7-6-9-4-2-3-5-11(9)13/h2-7,10H,1H3
InChIKey
DVPPCGBCCNKHFJ-UHFFFAOYSA-N
Compound name
1-methylsulfonyl-2H-quinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.0463 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 156.9
[M+Na]+ 257.03552 168.7
[M-H]- 233.03902 160.2
[M+NH4]+ 252.08012 173.4
[M+K]+ 273.00946 163.8
[M+H-H2O]+ 217.04356 144.4
[M+HCOO]- 279.04450 168.9
[M+CH3COO]- 293.06015 199.4
[M+Na-2H]- 255.02097 161.6
[M]+ 234.04575 153.9
[M]- 234.04685 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.