CID 14552808

3-(3,4-dichlorophenyl)prop-2-en-1-ol

Structural Information

Molecular Formula
C9H8Cl2O
SMILES
C1=CC(=C(C=C1/C=C/CO)Cl)Cl
InChI
InChI=1S/C9H8Cl2O/c10-8-4-3-7(2-1-5-12)6-9(8)11/h1-4,6,12H,5H2/b2-1+
InChIKey
BZHUHALWBXDAIN-OWOJBTEDSA-N
Compound name
(E)-3-(3,4-dichlorophenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

201.99522 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.002496 137.4
[M+Na]+ 224.984438 147.7
[M-H]- 200.987944 139.4
[M+NH4]+ 220.029043 157.7
[M+K]+ 240.958378 141.4
[M+H-H2O]+ 184.992480 134.2
[M+HCOO]- 246.993421 151.2
[M+CH3COO]- 261.009071 180.1
[M+Na-2H]- 222.969886 142.5
[M]+ 201.99467142 139.8
[M]- 201.99576858 139.8
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