CID 51934

73623-45-7

Structural Information

Molecular Formula
C12H9ClO3
SMILES
C1=CC=C2C(=C1)C=CC(=C2OCC(=O)O)Cl
InChI
InChI=1S/C12H9ClO3/c13-10-6-5-8-3-1-2-4-9(8)12(10)16-7-11(14)15/h1-6H,7H2,(H,14,15)
InChIKey
QTSSELIKMCTJSI-UHFFFAOYSA-N
Compound name
2-(2-chloronaphthalen-1-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.02402 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03130 145.9
[M+Na]+ 259.01324 160.7
[M+NH4]+ 254.05784 154.9
[M+K]+ 274.98718 153.5
[M-H]- 235.01674 148.2
[M+Na-2H]- 256.99869 152.9
[M]+ 236.02347 149.0
[M]- 236.02457 149.0
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.