CID 228226

Allyl 2,4-dichlorophenyl ether

Structural Information

Molecular Formula
C9H8Cl2O
SMILES
C=CCOC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2O/c1-2-5-12-9-4-3-7(10)6-8(9)11/h2-4,6H,1,5H2
InChIKey
PGFLETJYXQVZSD-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-prop-2-enoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

201.99522 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00250 136.7
[M+Na]+ 224.98444 147.4
[M-H]- 200.98794 140.0
[M+NH4]+ 220.02904 157.6
[M+K]+ 240.95838 142.0
[M+H-H2O]+ 184.99248 133.1
[M+HCOO]- 246.99342 152.0
[M+CH3COO]- 261.00907 183.4
[M+Na-2H]- 222.96989 142.4
[M]+ 201.99467 141.0
[M]- 201.99577 141.0
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