CID 63631533

Methyl 6-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate

Structural Information

Molecular Formula
C12H13BrO3
SMILES
COC(=O)C1(CCC2=C(C1)C=CC(=C2)Br)O
InChI
InChI=1S/C12H13BrO3/c1-16-11(14)12(15)5-4-8-6-10(13)3-2-9(8)7-12/h2-3,6,15H,4-5,7H2,1H3
InChIKey
SPPSQPNREZVONG-UHFFFAOYSA-N
Compound name
methyl 6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.00482 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.01210 154.7
[M+Na]+ 306.99404 165.2
[M-H]- 282.99754 160.4
[M+NH4]+ 302.03864 176.4
[M+K]+ 322.96798 154.6
[M+H-H2O]+ 267.00208 155.6
[M+HCOO]- 329.00302 171.2
[M+CH3COO]- 343.01867 193.0
[M+Na-2H]- 304.97949 161.4
[M]+ 284.00427 172.5
[M]- 284.00537 172.5
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.