CID 88713

Piperonyl chloride

Structural Information

Molecular Formula
C8H7ClO2
SMILES
C1OC2=C(O1)C=C(C=C2)CCl
InChI
InChI=1S/C8H7ClO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5H2
InChIKey
DWSUJONSJJTODA-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1223
Patents

170.01346 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02074 130.6
[M+Na]+ 193.00268 140.7
[M-H]- 169.00618 136.5
[M+NH4]+ 188.04728 152.3
[M+K]+ 208.97662 139.6
[M+H-H2O]+ 153.01072 126.7
[M+HCOO]- 215.01166 148.6
[M+CH3COO]- 229.02731 145.7
[M+Na-2H]- 190.98813 139.5
[M]+ 170.01291 134.7
[M]- 170.01401 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe