CID 15720

1798-11-4

Structural Information

Molecular Formula
C8H7NO5
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)O
InChI
InChI=1S/C8H7NO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey
AVDLFIONKHGQAP-UHFFFAOYSA-N
Compound name
2-(4-nitrophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

658
Patents

197.03242 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03970 136.8
[M+Na]+ 220.02164 148.6
[M+NH4]+ 215.06624 143.5
[M+K]+ 235.99558 147.2
[M-H]- 196.02514 138.2
[M+Na-2H]- 218.00709 142.0
[M]+ 197.03187 138.5
[M]- 197.03297 138.5
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