CID 13075209

89617-86-7

Structural Information

Molecular Formula
C14H13ClO3
SMILES
C[C@@H](C1=CC2=C(C=C1)C(=C(C=C2)OC)Cl)C(=O)O
InChI
InChI=1S/C14H13ClO3/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H,16,17)/t8-/m0/s1
InChIKey
RVVAYDHIVLCPBC-QMMMGPOBSA-N
Compound name
(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

264.05533 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06261 154.3
[M+Na]+ 287.04455 163.7
[M-H]- 263.04805 158.0
[M+NH4]+ 282.08915 172.6
[M+K]+ 303.01849 159.4
[M+H-H2O]+ 247.05259 149.5
[M+HCOO]- 309.05353 170.0
[M+CH3COO]- 323.06918 195.5
[M+Na-2H]- 285.03000 157.9
[M]+ 264.05478 158.8
[M]- 264.05588 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

patents stripe