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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07350 152.8
[M+Na]+ 278.05544 164.6
[M+NH4]+ 273.10004 162.4
[M+K]+ 294.02938 158.9
[M-H]- 254.05894 155.8
[M+Na-2H]- 276.04089 157.9
[M]+ 255.06567 155.7
[M]- 255.06677 155.7
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