CID 115224

Thiacloprid

Structural Information

Molecular Formula
C10H9ClN4S
SMILES
C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2
InChIKey
HOKKPVIRMVDYPB-UHFFFAOYSA-N
Compound name
[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

424
References

36909
Patents

252.02365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03093 156.8
[M+Na]+ 275.01287 168.1
[M-H]- 251.01637 161.2
[M+NH4]+ 270.05747 173.0
[M+K]+ 290.98681 162.5
[M+H-H2O]+ 235.02091 142.4
[M+HCOO]- 297.02185 167.5
[M+CH3COO]- 311.03750 167.4
[M+Na-2H]- 272.99832 157.8
[M]+ 252.02310 153.3
[M]- 252.02420 153.3
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

patents stripe