CID 216559

37430-50-5

Structural Information

Molecular Formula
C13H14Cl3NO3S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SC(Cl)(Cl)Cl)C
InChI
InChI=1S/C13H14Cl3NO3S/c1-12(2)7-8-5-4-6-9(10(8)20-12)19-11(18)17(3)21-13(14,15)16/h4-6H,7H2,1-3H3
InChIKey
NAQCLINQVRDCES-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(trichloromethylsulfanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.976 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.98328 177.7
[M+Na]+ 391.96522 186.8
[M-H]- 367.96872 183.4
[M+NH4]+ 387.00982 196.3
[M+K]+ 407.93916 183.8
[M+H-H2O]+ 351.97326 175.9
[M+HCOO]- 413.97420 179.3
[M+CH3COO]- 427.98985 212.0
[M+Na-2H]- 389.95067 179.7
[M]+ 368.97545 186.9
[M]- 368.97655 186.9
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.