CID 721361

2-naphthyl (4-chlorophenoxy)acetate

Structural Information

Molecular Formula
C18H13ClO3
SMILES
C1=CC=C2C=C(C=CC2=C1)OC(=O)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H13ClO3/c19-15-6-9-16(10-7-15)21-12-18(20)22-17-8-5-13-3-1-2-4-14(13)11-17/h1-11H,12H2
InChIKey
QMTFIYDRQYREAM-UHFFFAOYSA-N
Compound name
naphthalen-2-yl 2-(4-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.05533 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.06261 168.6
[M+Na]+ 335.04455 177.4
[M-H]- 311.04805 176.1
[M+NH4]+ 330.08915 184.8
[M+K]+ 351.01849 172.0
[M+H-H2O]+ 295.05259 161.0
[M+HCOO]- 357.05353 186.7
[M+CH3COO]- 371.06918 203.2
[M+Na-2H]- 333.03000 174.6
[M]+ 312.05478 173.7
[M]- 312.05588 173.7
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

No patent data available for this compound.