CID 162345206

Ns00133299

Structural Information

Molecular Formula
C14H13ClO3
SMILES
C[C@@H](C1=CC2=C(C=C(C=C2C=C1)OC)Cl)C(=O)O
InChI
InChI=1S/C14H13ClO3/c1-8(14(16)17)9-3-4-10-5-11(18-2)7-13(15)12(10)6-9/h3-8H,1-2H3,(H,16,17)/t8-/m0/s1
InChIKey
IHGBDFKIHGNFSS-QMMMGPOBSA-N
Compound name
(2S)-2-(8-chloro-6-methoxynaphthalen-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.05533 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.062606 154.3
[M+Na]+ 287.044548 163.7
[M-H]- 263.048054 158.0
[M+NH4]+ 282.089153 172.6
[M+K]+ 303.018488 159.4
[M+H-H2O]+ 247.052590 149.5
[M+HCOO]- 309.053531 170.0
[M+CH3COO]- 323.069181 195.5
[M+Na-2H]- 285.029996 157.9
[M]+ 264.05478142 158.8
[M]- 264.05587858 158.8
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.