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]+ 285.012096 154.7
[M+Na]+ 306.994038 165.2
[M-H]- 282.997544 160.4
[M+NH4]+ 302.038643 176.4
[M+K]+ 322.967978 154.6
[M+H-H2O]+ 267.002080 155.6
[M+HCOO]- 329.003021 171.2
[M+CH3COO]- 343.018671 193.0
[M+Na-2H]- 304.979486 161.4
[M]+ 284.00427142 172.5
[M]- 284.00536858 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.