CID 22418862

116939-11-8

Structural Information

Molecular Formula
C9H9ClO2
SMILES
C1COC2=C(C=CC=C2O1)CCl
InChI
InChI=1S/C9H9ClO2/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3H,4-6H2
InChIKey
ROFHTLXQUSTDLX-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

184.02911 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe