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]+ 306.052746 167.3
[M+Na]+ 328.034688 175.6
[M-H]- 304.038194 176.3
[M+NH4]+ 323.079293 182.8
[M+K]+ 344.008628 173.5
[M+H-H2O]+ 288.042730 161.0
[M+HCOO]- 350.043671 185.0
[M+CH3COO]- 364.059321 179.7
[M+Na-2H]- 326.020136 173.0
[M]+ 305.04492142 172.7
[M]- 305.04601858 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.