CID 2566

Carbofuran

Structural Information

Molecular Formula
C12H15NO3
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C
InChI
InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
InChIKey
DUEPRVBVGDRKAG-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1115
References

52760
Patents

221.1052 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 147.4
[M+Na]+ 244.09442 155.9
[M-H]- 220.09792 153.1
[M+NH4]+ 239.13902 169.4
[M+K]+ 260.06836 155.3
[M+H-H2O]+ 204.10246 142.5
[M+HCOO]- 266.10340 170.1
[M+CH3COO]- 280.11905 189.6
[M+Na-2H]- 242.07987 153.8
[M]+ 221.10465 150.3
[M]- 221.10575 150.3
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.