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]+ 255.00153 148.4
[M+Na]+ 276.98347 158.5
[M-H]- 252.98697 153.9
[M+NH4]+ 272.02807 169.3
[M+K]+ 292.95741 147.3
[M+H-H2O]+ 236.99151 148.9
[M+HCOO]- 298.99245 165.0
[M+CH3COO]- 313.00810 189.3
[M+Na-2H]- 274.96892 154.4
[M]+ 253.99370 164.1
[M]- 253.99480 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.