CID 20925

Niagara 10559

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₃

SMILES

CC1(CC2=C(C=CC(=C2O1)OC(=O)NC)Cl)C

InChI

InChI=1S/C12H14ClNO3/c1-12(2)6-7-8(13)4-5-9(10(7)17-12)16-11(15)14-3/h4-5H,6H2,1-3H3,(H,14,15)

InChIKey

ZUIXATGNVPEOAZ-UHFFFAOYSA-N

Compound name

(4-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 255.06622 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.073496	154.1
[M+Na]+	278.055438	164.3
[M-H]-	254.058944	159.9
[M+NH4]+	273.100043	175.9
[M+K]+	294.029378	161.7
[M+H-H2O]+	238.063480	150.3
[M+HCOO]-	300.064421	172.2
[M+CH3COO]-	314.080071	194.6
[M+Na-2H]-	276.040886	159.3
[M]+	255.06567142	159.4
[M]-	255.06676858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe