CID 23012

Bis(2-carboxyphenyl)diselenide

Structural Information

Molecular Formula
C14H10O4Se2
SMILES
C1=CC=C(C(=C1)C(=O)O)[Se][Se]C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H10O4Se2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey
KQOVQKHBCWQFCJ-UHFFFAOYSA-N
Compound name
2-[(2-carboxyphenyl)diselanyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

401.89096 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.89824 180.6
[M+Na]+ 424.88018 192.7
[M+NH4]+ 419.92478 186.5
[M+K]+ 440.85412 186.0
[M-H]- 400.88368 182.5
[M+Na-2H]- 422.86563 185.9
[M]+ 401.89041 182.6
[M]- 401.89151 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe