CID 4121133

Piperonyl n-(2-chlorophenyl)carbamate

Structural Information

Molecular Formula
C15H12ClNO4
SMILES
C1OC2=C(O1)C=C(C=C2)COC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C15H12ClNO4/c16-11-3-1-2-4-12(11)17-15(18)19-8-10-5-6-13-14(7-10)21-9-20-13/h1-7H,8-9H2,(H,17,18)
InChIKey
CAEBNSKSTRNABO-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-ylmethyl N-(2-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.04547 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05275 165.9
[M+Na]+ 328.03469 179.5
[M+NH4]+ 323.07929 174.1
[M+K]+ 344.00863 174.8
[M-H]- 304.03819 172.5
[M+Na-2H]- 326.02014 171.9
[M]+ 305.04492 170.0
[M]- 305.04602 170.0
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.