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 170.3
[M+Na]+ 357.03292 173.1
[M-H]- 333.03642 175.3
[M+NH4]+ 352.07752 179.8
[M+K]+ 373.00686 164.0
[M+H-H2O]+ 317.04096 170.5
[M+HCOO]- 379.04190 192.9
[M+CH3COO]- 393.05755 194.1
[M+Na-2H]- 355.01837 177.0
[M]+ 334.04315 168.6
[M]- 334.04425 168.6
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

No patent data available for this compound.