CID 74502

1779-10-8

Structural Information

Molecular Formula
C11H6Br2O3
SMILES
C1=CC2=C(C(=C(C=C2C=C1Br)C(=O)O)O)Br
InChI
InChI=1S/C11H6Br2O3/c12-6-1-2-7-5(3-6)4-8(11(15)16)10(14)9(7)13/h1-4,14H,(H,15,16)
InChIKey
WNMKUIQCIRAXBN-UHFFFAOYSA-N
Compound name
4,7-dibromo-3-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

155
Patents

343.86838 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.875656 149.6
[M+Na]+ 366.857598 160.5
[M-H]- 342.861104 155.3
[M+NH4]+ 361.902203 167.0
[M+K]+ 382.831538 145.0
[M+H-H2O]+ 326.865640 157.7
[M+HCOO]- 388.866581 162.6
[M+CH3COO]- 402.882231 207.0
[M+Na-2H]- 364.843046 155.3
[M]+ 343.86783142 183.3
[M]- 343.86892858 183.3
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

patents stripe