CID 3054679

F 1660

Structural Information

Molecular Formula
C12H8Cl4N2O2S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)NC(=O)OCC(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C12H8Cl4N2O2S/c13-8-3-1-7(2-4-8)9-5-21-10(17-9)18-11(19)20-6-12(14,15)16/h1-5H,6H2,(H,17,18,19)
InChIKey
NUECFJTUZRSNIU-UHFFFAOYSA-N
Compound name
2,2,2-trichloroethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

383.90607 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.91335 180.8
[M+Na]+ 406.89529 189.6
[M-H]- 382.89879 184.0
[M+NH4]+ 401.93989 194.5
[M+K]+ 422.86923 183.7
[M+H-H2O]+ 366.90333 176.1
[M+HCOO]- 428.90427 178.6
[M+CH3COO]- 442.91992 210.1
[M+Na-2H]- 404.88074 179.6
[M]+ 383.90552 185.4
[M]- 383.90662 185.4
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

patents stripe