CID 63631360

1342559-20-9

Structural Information

Molecular Formula
C11H11BrO3
SMILES
C1CC(CC2=C1C=C(C=C2)Br)(C(=O)O)O
InChI
InChI=1S/C11H11BrO3/c12-9-2-1-8-6-11(15,10(13)14)4-3-7(8)5-9/h1-2,5,15H,3-4,6H2,(H,13,14)
InChIKey
NOPUGZSZTHJYNB-UHFFFAOYSA-N
Compound name
6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.98917 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99645 150.9
[M+Na]+ 292.97839 161.2
[M-H]- 268.98189 155.3
[M+NH4]+ 288.02299 172.4
[M+K]+ 308.95233 150.0
[M+H-H2O]+ 252.98643 152.1
[M+HCOO]- 314.98737 166.2
[M+CH3COO]- 329.00302 188.6
[M+Na-2H]- 290.96384 157.6
[M]+ 269.98862 166.7
[M]- 269.98972 166.7
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.