CID 120338

4-nitrosoresorcinol

Structural Information

Molecular Formula
C6H5NO3
SMILES
C1=CC(=C(C=C1O)O)N=O
InChI
InChI=1S/C6H5NO3/c8-4-1-2-5(7-10)6(9)3-4/h1-3,8-9H
InChIKey
BJBGAAAJTDQABC-UHFFFAOYSA-N
Compound name
4-nitrosobenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

139.02695 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03423 121.7
[M+Na]+ 162.01617 131.1
[M-H]- 138.01967 125.1
[M+NH4]+ 157.06077 142.8
[M+K]+ 177.99011 130.0
[M+H-H2O]+ 122.02421 116.5
[M+HCOO]- 184.02515 147.7
[M+CH3COO]- 198.04080 172.0
[M+Na-2H]- 160.00162 130.0
[M]+ 139.02640 122.3
[M]- 139.02750 122.3
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