CID 366915

Nsc635977

Structural Information

Molecular Formula
C9H8Cl2O2
SMILES
C1COC1OC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H8Cl2O2/c10-7-2-1-6(5-8(7)11)13-9-3-4-12-9/h1-2,5,9H,3-4H2
InChIKey
SEIBWBMVTNFOCR-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenoxy)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.99013 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.99741 128.7
[M+Na]+ 240.97935 138.0
[M-H]- 216.98285 135.3
[M+NH4]+ 236.02395 141.4
[M+K]+ 256.95329 137.7
[M+H-H2O]+ 200.98739 119.8
[M+HCOO]- 262.98833 142.0
[M+CH3COO]- 277.00398 187.5
[M+Na-2H]- 238.96480 135.9
[M]+ 217.98958 141.6
[M]- 217.99068 141.6
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.