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
2
Annotation Hits

6
References

1679
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 131.9
[M+Na]+ 206.00599 139.2
[M-H]- 182.00949 134.7
[M+NH4]+ 201.05059 150.1
[M+K]+ 221.97993 134.6
[M+H-H2O]+ 166.01403 130.9
[M+HCOO]- 228.01497 156.6
[M+CH3COO]- 242.03062 170.1
[M+Na-2H]- 203.99144 139.8
[M]+ 183.01622 131.2
[M]- 183.01732 131.2
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.