CID 13215712

7-nitronaphthalen-1-ol

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC2=C(C=C(C=C2)[N+](=O)[O-])C(=C1)O
InChI
InChI=1S/C10H7NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6,12H
InChIKey
HWRPHGWDQCUEPK-UHFFFAOYSA-N
Compound name
7-nitronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

189.04259 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

patents stripe