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

109
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 134.0
[M+Na]+ 207.01833 142.7
[M-H]- 183.02183 139.5
[M+NH4]+ 202.06293 153.2
[M+K]+ 222.99227 141.6
[M+H-H2O]+ 167.02637 129.1
[M+HCOO]- 229.02731 149.6
[M+CH3COO]- 243.04296 148.0
[M+Na-2H]- 205.00378 144.0
[M]+ 184.02856 136.4
[M]- 184.02966 136.4
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