CID 119057012

3-chloro-5-methanesulfinylpyridin-2-amine

Structural Information

Molecular Formula
C6H7ClN2OS
SMILES
CS(=O)C1=CC(=C(N=C1)N)Cl
InChI
InChI=1S/C6H7ClN2OS/c1-11(10)4-2-5(7)6(8)9-3-4/h2-3H,1H3,(H2,8,9)
InChIKey
DNNNINRBFVLHKR-UHFFFAOYSA-N
Compound name
3-chloro-5-methylsulfinylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.99677 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00405 135.4
[M+Na]+ 212.98599 148.2
[M+NH4]+ 208.03059 144.1
[M+K]+ 228.95993 140.4
[M-H]- 188.98949 137.4
[M+Na-2H]- 210.97144 141.4
[M]+ 189.99622 138.4
[M]- 189.99732 138.4
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.