CID 2754840

2-chloro-6-propylthio-4-pyridinecarbothioamide

Structural Information

Molecular Formula
C9H11ClN2S2
SMILES
CCCSC1=NC(=CC(=C1)C(=S)N)Cl
InChI
InChI=1S/C9H11ClN2S2/c1-2-3-14-8-5-6(9(11)13)4-7(10)12-8/h4-5H,2-3H2,1H3,(H2,11,13)
InChIKey
NIPDIBPFYFLDKX-UHFFFAOYSA-N
Compound name
2-chloro-6-propylsulfanylpyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.00522 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01250 146.6
[M+Na]+ 268.99444 155.6
[M-H]- 244.99794 148.6
[M+NH4]+ 264.03904 164.0
[M+K]+ 284.96838 148.6
[M+H-H2O]+ 229.00248 141.3
[M+HCOO]- 291.00342 153.6
[M+CH3COO]- 305.01907 192.6
[M+Na-2H]- 266.97989 145.9
[M]+ 246.00467 149.2
[M]- 246.00577 149.2
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.