CID 14552808

(2e)-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]+ 203.00250 137.4
[M+Na]+ 224.98444 147.7
[M-H]- 200.98794 139.4
[M+NH4]+ 220.02904 157.7
[M+K]+ 240.95838 141.4
[M+H-H2O]+ 184.99248 134.2
[M+HCOO]- 246.99342 151.2
[M+CH3COO]- 261.00907 180.1
[M+Na-2H]- 222.96989 142.5
[M]+ 201.99467 139.8
[M]- 201.99577 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