CID 34304

2,3-dichlorodiphenyl ether

Structural Information

Molecular Formula
C12H8Cl2O
SMILES
C1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2O/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h1-8H
InChIKey
VSKSUBSGORDMQX-UHFFFAOYSA-N
Compound name
1,2-dichloro-3-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

505
Patents

237.99522 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00250 145.8
[M+Na]+ 260.98444 156.4
[M-H]- 236.98794 152.1
[M+NH4]+ 256.02904 164.9
[M+K]+ 276.95838 150.3
[M+H-H2O]+ 220.99248 140.4
[M+HCOO]- 282.99342 161.3
[M+CH3COO]- 297.00907 159.4
[M+Na-2H]- 258.96989 152.2
[M]+ 237.99467 149.7
[M]- 237.99577 149.7
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