CID 11571

3,5-dichlorophenol

Structural Information

Molecular Formula
C6H4Cl2O
SMILES
C1=C(C=C(C=C1Cl)Cl)O
InChI
InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey
VPOMSPZBQMDLTM-UHFFFAOYSA-N
Compound name
3,5-dichlorophenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

124
References

4265
Patents

161.96391 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97119 124.1
[M+Na]+ 184.95313 135.3
[M-H]- 160.95663 126.5
[M+NH4]+ 179.99773 145.9
[M+K]+ 200.92707 130.3
[M+H-H2O]+ 144.96117 121.5
[M+HCOO]- 206.96211 138.7
[M+CH3COO]- 220.97776 172.8
[M+Na-2H]- 182.93858 130.9
[M]+ 161.96336 126.1
[M]- 161.96446 126.1
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