CID 3039473

Carbamic acid, ((3,4-dichlorophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

Structural Information

Molecular Formula
C18H17Cl2NO3S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SC3=CC(=C(C=C3)Cl)Cl)C
InChI
InChI=1S/C18H17Cl2NO3S/c1-18(2)10-11-5-4-6-15(16(11)24-18)23-17(22)21(3)25-12-7-8-13(19)14(20)9-12/h4-9H,10H2,1-3H3
InChIKey
ZOLUKWLBFWSPKJ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(3,4-dichlorophenyl)sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.0306 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.03788 188.0
[M+Na]+ 420.01982 201.9
[M+NH4]+ 415.06442 198.3
[M+K]+ 435.99376 192.2
[M-H]- 396.02332 193.9
[M+Na-2H]- 418.00527 195.1
[M]+ 397.03005 193.0
[M]- 397.03115 193.0
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.