CID 10654689

2-(4-chlorophenyl)prop-2-en-1-ol

Structural Information

Molecular Formula
C9H9ClO
SMILES
C=C(CO)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H9ClO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,11H,1,6H2
InChIKey
YSVPZZMRQLNULN-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

168.0342 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04148 131.7
[M+Na]+ 191.02342 140.5
[M-H]- 167.02692 134.2
[M+NH4]+ 186.06802 152.6
[M+K]+ 206.99736 136.1
[M+H-H2O]+ 151.03146 127.7
[M+HCOO]- 213.03240 149.7
[M+CH3COO]- 227.04805 175.6
[M+Na-2H]- 189.00887 137.2
[M]+ 168.03365 132.3
[M]- 168.03475 132.3
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