CID 223918

Nsc638156

Structural Information

Molecular Formula
C16H12O4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C=C(C(=O)O)C(=O)O
InChI
InChI=1S/C16H12O4/c17-15(18)14(16(19)20)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H,17,18)(H,19,20)
InChIKey
VUKIGYZXHRSZFY-UHFFFAOYSA-N
Compound name
2-[(4-phenylphenyl)methylidene]propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

268.07355 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 159.3
[M+Na]+ 291.06277 164.9
[M-H]- 267.06627 163.2
[M+NH4]+ 286.10737 173.5
[M+K]+ 307.03671 160.9
[M+H-H2O]+ 251.07081 152.2
[M+HCOO]- 313.07175 178.4
[M+CH3COO]- 327.08740 192.0
[M+Na-2H]- 289.04822 161.1
[M]+ 268.07300 157.4
[M]- 268.07410 157.4
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.