CID 95320

2164-33-2

Structural Information

Molecular Formula
C9H9ClO2
SMILES
C1C(OC2=CC=CC=C2O1)CCl
InChI
InChI=1S/C9H9ClO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2
InChIKey
AYPKYQSHFKQVDL-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

184.02911 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 133.4
[M+Na]+ 207.01833 148.6
[M+NH4]+ 202.06293 143.8
[M+K]+ 222.99227 141.3
[M-H]- 183.02183 139.4
[M+Na-2H]- 205.00378 140.1
[M]+ 184.02856 137.8
[M]- 184.02966 137.8
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