CID 69083

2-nitro-1-naphthol

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)[N+](=O)[O-]
InChI
InChI=1S/C10H7NO3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H
InChIKey
MUCCHGOWMZTLHK-UHFFFAOYSA-N
Compound name
2-nitronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

724
Patents

189.04259 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 134.3
[M+Na]+ 212.03181 142.6
[M-H]- 188.03531 138.1
[M+NH4]+ 207.07641 153.6
[M+K]+ 228.00575 135.7
[M+H-H2O]+ 172.03985 133.2
[M+HCOO]- 234.04079 158.3
[M+CH3COO]- 248.05644 174.7
[M+Na-2H]- 210.01726 144.4
[M]+ 189.04204 132.7
[M]- 189.04314 132.7
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