CID 33704

Bis(p-nitrophenoxy)acetic acid

Structural Information

Molecular Formula
C14H10N2O8
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC(C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H10N2O8/c17-13(18)14(23-11-5-1-9(2-6-11)15(19)20)24-12-7-3-10(4-8-12)16(21)22/h1-8,14H,(H,17,18)
InChIKey
YWZMCFKHSBKVGL-UHFFFAOYSA-N
Compound name
2,2-bis(4-nitrophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0437 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05098 172.0
[M+Na]+ 357.03292 178.7
[M+NH4]+ 352.07752 181.1
[M+K]+ 373.00686 187.7
[M-H]- 333.03642 175.2
[M+Na-2H]- 355.01837 176.7
[M]+ 334.04315 174.3
[M]- 334.04425 174.3
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

No patent data available for this compound.