CID 3764106

90415-17-1

Structural Information

Molecular Formula
C9H4Br2O3
SMILES
C1=C2C=C(OC2=C(C=C1Br)Br)C(=O)O
InChI
InChI=1S/C9H4Br2O3/c10-5-1-4-2-7(9(12)13)14-8(4)6(11)3-5/h1-3H,(H,12,13)
InChIKey
PTCVMMBMRYJVFE-UHFFFAOYSA-N
Compound name
5,7-dibromo-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

317.85272 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.86000 147.0
[M+Na]+ 340.84194 159.7
[M-H]- 316.84544 154.8
[M+NH4]+ 335.88654 166.4
[M+K]+ 356.81588 145.9
[M+H-H2O]+ 300.84998 155.7
[M+HCOO]- 362.85092 163.0
[M+CH3COO]- 376.86657 203.1
[M+Na-2H]- 338.82739 153.9
[M]+ 317.85217 183.6
[M]- 317.85327 183.6
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