CID 458962

5-nitronaphthalene-1-carboxylic acid

Structural Information

Molecular Formula
C11H7NO4
SMILES
C1=CC2=C(C=CC=C2[N+](=O)[O-])C(=C1)C(=O)O
InChI
InChI=1S/C11H7NO4/c13-11(14)9-5-1-4-8-7(9)3-2-6-10(8)12(15)16/h1-6H,(H,13,14)
InChIKey
XOUKDQBDXPQJJI-UHFFFAOYSA-N
Compound name
5-nitronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

217.0375 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04478 141.2
[M+Na]+ 240.02672 155.2
[M+NH4]+ 235.07132 149.4
[M+K]+ 256.00066 152.2
[M-H]- 216.03022 144.3
[M+Na-2H]- 238.01217 147.5
[M]+ 217.03695 143.9
[M]- 217.03805 143.9
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