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 154.1
[M+Na]+ 278.05544 164.3
[M-H]- 254.05894 159.9
[M+NH4]+ 273.10004 175.9
[M+K]+ 294.02938 161.7
[M+H-H2O]+ 238.06348 150.3
[M+HCOO]- 300.06442 172.2
[M+CH3COO]- 314.08007 194.6
[M+Na-2H]- 276.04089 159.3
[M]+ 255.06567 159.4
[M]- 255.06677 159.4
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