CID 302907

2-((4-chloronaphthalen-1-yl)oxy)acetic acid

Structural Information

Molecular Formula
C12H9ClO3
SMILES
C1=CC=C2C(=C1)C(=CC=C2Cl)OCC(=O)O
InChI
InChI=1S/C12H9ClO3/c13-10-5-6-11(16-7-12(14)15)9-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,15)
InChIKey
MNLRUNHEJYLLBJ-UHFFFAOYSA-N
Compound name
2-(4-chloronaphthalen-1-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 145.6
[M+Na]+ 259.01324 155.3
[M-H]- 235.01674 149.2
[M+NH4]+ 254.05784 164.9
[M+K]+ 274.98718 150.8
[M+H-H2O]+ 219.02128 140.8
[M+HCOO]- 281.02222 163.0
[M+CH3COO]- 295.03787 187.4
[M+Na-2H]- 256.99869 152.2
[M]+ 236.02347 149.6
[M]- 236.02457 149.6
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

patents stripe