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 133.2
[M+Na]+ 212.98599 143.6
[M-H]- 188.98949 136.0
[M+NH4]+ 208.03059 152.8
[M+K]+ 228.95993 139.3
[M+H-H2O]+ 172.99403 128.2
[M+HCOO]- 234.99497 147.3
[M+CH3COO]- 249.01062 181.0
[M+Na-2H]- 210.97144 136.0
[M]+ 189.99622 135.6
[M]- 189.99732 135.6
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.