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 138.7
[M+Na]+ 219.01833 150.9
[M-H]- 195.02183 140.3
[M+NH4]+ 214.06293 156.9
[M+K]+ 234.99227 145.1
[M+H-H2O]+ 179.02637 128.7
[M+HCOO]- 241.02731 152.4
[M+CH3COO]- 255.04296 187.2
[M+Na-2H]- 217.00378 143.4
[M]+ 196.02856 136.4
[M]- 196.02966 136.4
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.