CID 7729

4-nitrosophenol

Structural Information

Molecular Formula
C6H5NO2
SMILES
C1=CC(=CC=C1N=O)O
InChI
InChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H
InChIKey
JSTCPNFNKICNNO-UHFFFAOYSA-N
Compound name
4-nitrosophenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

24
References

8316
Patents

123.03203 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.039306 118.4
[M+Na]+ 146.021248 127.5
[M-H]- 122.024754 122.9
[M+NH4]+ 141.065853 140.6
[M+K]+ 161.995188 126.7
[M+H-H2O]+ 106.029290 113.1
[M+HCOO]- 168.030231 145.7
[M+CH3COO]- 182.045881 171.3
[M+Na-2H]- 144.006696 128.0
[M]+ 123.03148142 119.1
[M]- 123.03257858 119.1
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