CID 15883

1878-87-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

245
Patents

197.03242 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03970 136.6
[M+Na]+ 220.02164 143.4
[M-H]- 196.02514 139.2
[M+NH4]+ 215.06624 154.1
[M+K]+ 235.99558 138.5
[M+H-H2O]+ 180.02968 135.3
[M+HCOO]- 242.03062 161.0
[M+CH3COO]- 256.04627 173.8
[M+Na-2H]- 218.00709 144.0
[M]+ 197.03187 136.4
[M]- 197.03297 136.4
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