CID 148843990

4-chloro-3-ethynylphenol

Structural Information

Molecular Formula
C8H5ClO
SMILES
C#CC1=C(C=CC(=C1)O)Cl
InChI
InChI=1S/C8H5ClO/c1-2-6-5-7(10)3-4-8(6)9/h1,3-5,10H
InChIKey
OWCFBYWGHJRKFC-UHFFFAOYSA-N
Compound name
4-chloro-3-ethynylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.0029 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.01018 127.8
[M+Na]+ 174.99212 140.6
[M-H]- 150.99562 129.6
[M+NH4]+ 170.03672 147.4
[M+K]+ 190.96606 134.7
[M+H-H2O]+ 135.00016 118.3
[M+HCOO]- 197.00110 141.8
[M+CH3COO]- 211.01675 181.3
[M+Na-2H]- 172.97757 133.4
[M]+ 152.00235 123.6
[M]- 152.00345 123.6
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

No patent data available for this compound.