CID 60801777

3-(5-chloro-2-methoxyphenyl)prop-2-yn-1-ol

Structural Information

Molecular Formula
C10H9ClO2
SMILES
COC1=C(C=C(C=C1)Cl)C#CCO
InChI
InChI=1S/C10H9ClO2/c1-13-10-5-4-9(11)7-8(10)3-2-6-12/h4-5,7,12H,6H2,1H3
InChIKey
NQXOVRWLXJSXAH-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methoxyphenyl)prop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.02911 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03639 135.5
[M+Na]+ 219.01833 149.1
[M+NH4]+ 214.06293 140.7
[M+K]+ 234.99227 139.3
[M-H]- 195.02183 129.4
[M+Na-2H]- 217.00378 139.5
[M]+ 196.02856 135.2
[M]- 196.02966 135.2
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

No patent data available for this compound.