CID 23006413

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

Structural Information

Molecular Formula
C9H6Cl2O
SMILES
C1=CC(=C(C=C1Cl)Cl)C#CCO
InChI
InChI=1S/C9H6Cl2O/c10-8-4-3-7(2-1-5-12)9(11)6-8/h3-4,6,12H,5H2
InChIKey
JGWPOWBACBDELD-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)prop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.97957 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.98685 137.6
[M+Na]+ 222.96879 150.7
[M-H]- 198.97229 138.7
[M+NH4]+ 218.01339 156.0
[M+K]+ 238.94273 143.1
[M+H-H2O]+ 182.97683 128.8
[M+HCOO]- 244.97777 146.9
[M+CH3COO]- 258.99342 187.1
[M+Na-2H]- 220.95424 142.1
[M]+ 199.97902 134.6
[M]- 199.98012 134.6
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