CID 74628

4-nitrophenyl formate

Structural Information

Molecular Formula
C7H5NO4
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC=O
InChI
InChI=1S/C7H5NO4/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-5H
InChIKey
IEXRKQFZXJSHOB-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5069
Patents

167.02185 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02913 129.1
[M+Na]+ 190.01107 137.2
[M-H]- 166.01457 133.3
[M+NH4]+ 185.05567 148.7
[M+K]+ 205.98501 132.5
[M+H-H2O]+ 150.01911 128.0
[M+HCOO]- 212.02005 156.1
[M+CH3COO]- 226.03570 170.8
[M+Na-2H]- 187.99652 138.5
[M]+ 167.02130 129.7
[M]- 167.02240 129.7
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