CID 325118

62176-24-3

Structural Information

Molecular Formula
C10H7ClO3
SMILES
C#CCOC1=C(C=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C10H7ClO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h1,3-4,6H,5H2,(H,12,13)
InChIKey
SVUWYXHNPPZARJ-UHFFFAOYSA-N
Compound name
5-chloro-2-prop-2-ynoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

210.00838 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01566 140.9
[M+Na]+ 232.99760 152.8
[M-H]- 209.00110 142.4
[M+NH4]+ 228.04220 158.1
[M+K]+ 248.97154 147.4
[M+H-H2O]+ 193.00564 130.7
[M+HCOO]- 255.00658 154.0
[M+CH3COO]- 269.02223 190.2
[M+Na-2H]- 230.98305 144.4
[M]+ 210.00783 138.7
[M]- 210.00893 138.7
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