CID 22140367

2,7-biphenylenedicarboxylic acid

Structural Information

Molecular Formula
C14H8O4
SMILES
C1=CC2=C(C=C1C(=O)O)C3=C2C=CC(=C3)C(=O)O
InChI
InChI=1S/C14H8O4/c15-13(16)7-1-3-9-10-4-2-8(14(17)18)6-12(10)11(9)5-7/h1-6H,(H,15,16)(H,17,18)
InChIKey
RLGRVKKAMSZUSJ-UHFFFAOYSA-N
Compound name
biphenylene-2,7-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

240.04225 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.049526 149.0
[M+Na]+ 263.031468 157.1
[M-H]- 239.034974 152.4
[M+NH4]+ 258.076073 160.8
[M+K]+ 279.005408 156.9
[M+H-H2O]+ 223.039510 137.9
[M+HCOO]- 285.040451 167.0
[M+CH3COO]- 299.056101 193.5
[M+Na-2H]- 261.016916 154.3
[M]+ 240.04170142 159.7
[M]- 240.04279858 159.7
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

patents stripe