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 167.3
[M+Na]+ 328.03469 175.6
[M-H]- 304.03819 176.3
[M+NH4]+ 323.07929 182.8
[M+K]+ 344.00863 173.5
[M+H-H2O]+ 288.04273 161.0
[M+HCOO]- 350.04367 185.0
[M+CH3COO]- 364.05932 179.7
[M+Na-2H]- 326.02014 173.0
[M]+ 305.04492 172.7
[M]- 305.04602 172.7
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

No patent data available for this compound.