CID 70342

4-nitroperoxybenzoic acid

Structural Information

Molecular Formula
C7H5NO5
SMILES
C1=CC(=CC=C1C(=O)OO)[N+](=O)[O-]
InChI
InChI=1S/C7H5NO5/c9-7(13-12)5-1-3-6(4-2-5)8(10)11/h1-4,12H
InChIKey
ZJAFQAPHWPSKRZ-UHFFFAOYSA-N
Compound name
4-nitrobenzenecarboperoxoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1262
Patents

183.01677 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02405 132.5
[M+Na]+ 206.00599 144.5
[M+NH4]+ 201.05059 139.3
[M+K]+ 221.97993 143.3
[M-H]- 182.00949 133.9
[M+Na-2H]- 203.99144 137.9
[M]+ 183.01622 134.2
[M]- 183.01732 134.2
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

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