CID 72698331

5-bromo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C11H11BrO2
SMILES
C1CC2=C(CC1C(=O)O)C=CC=C2Br
InChI
InChI=1S/C11H11BrO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-3,8H,4-6H2,(H,13,14)
InChIKey
UXJXCOISDYBOTM-UHFFFAOYSA-N
Compound name
5-bromo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.99425 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.001526 148.4
[M+Na]+ 276.983468 158.5
[M-H]- 252.986974 153.9
[M+NH4]+ 272.028073 169.3
[M+K]+ 292.957408 147.3
[M+H-H2O]+ 236.991510 148.9
[M+HCOO]- 298.992451 165.0
[M+CH3COO]- 313.008101 189.3
[M+Na-2H]- 274.968916 154.4
[M]+ 253.99370142 164.1
[M]- 253.99479858 164.1
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.