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

7
Patents

210.00838 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.015656 140.9
[M+Na]+ 232.997598 152.8
[M-H]- 209.001104 142.4
[M+NH4]+ 228.042203 158.1
[M+K]+ 248.971538 147.4
[M+H-H2O]+ 193.005640 130.7
[M+HCOO]- 255.006581 154.0
[M+CH3COO]- 269.022231 190.2
[M+Na-2H]- 230.983046 144.4
[M]+ 210.00783142 138.7
[M]- 210.00892858 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