CID 3039560

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

Structural Information

Molecular Formula
C18H18FNO3S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SC3=CC=C(C=C3)F)C
InChI
InChI=1S/C18H18FNO3S/c1-18(2)11-12-5-4-6-15(16(12)23-18)22-17(21)20(3)24-14-9-7-13(19)8-10-14/h4-10H,11H2,1-3H3
InChIKey
CFLJNVMICROPNV-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(4-fluorophenyl)sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.09915 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10643 179.0
[M+Na]+ 370.08837 190.2
[M+NH4]+ 365.13297 188.2
[M+K]+ 386.06231 182.0
[M-H]- 346.09187 183.4
[M+Na-2H]- 368.07382 185.6
[M]+ 347.09860 182.5
[M]- 347.09970 182.5
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.