CID 167719852

3-iodo-6-isothiocyanato-2-methylpyridine

Structural Information

Molecular Formula
C7H5IN2S
SMILES
CC1=C(C=CC(=N1)N=C=S)I
InChI
InChI=1S/C7H5IN2S/c1-5-6(8)2-3-7(10-5)9-4-11/h2-3H,1H3
InChIKey
WJARBAZBPSFRLK-UHFFFAOYSA-N
Compound name
3-iodo-6-isothiocyanato-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.9218 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.92908 138.9
[M+Na]+ 298.91102 142.1
[M-H]- 274.91452 136.4
[M+NH4]+ 293.95562 154.5
[M+K]+ 314.88496 144.7
[M+H-H2O]+ 258.91906 128.9
[M+HCOO]- 320.92000 155.1
[M+CH3COO]- 334.93565 190.3
[M+Na-2H]- 296.89647 131.8
[M]+ 275.92125 138.5
[M]- 275.92235 138.5
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.