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

17
Patents

189.04259 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 134.3
[M+Na]+ 212.031808 142.6
[M-H]- 188.035314 138.1
[M+NH4]+ 207.076413 153.6
[M+K]+ 228.005748 135.7
[M+H-H2O]+ 172.039850 133.2
[M+HCOO]- 234.040791 158.3
[M+CH3COO]- 248.056441 174.7
[M+Na-2H]- 210.017256 144.4
[M]+ 189.04204142 132.7
[M]- 189.04313858 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