CID 12900532

3-methoxy-4-nitrophenol

Structural Information

Molecular Formula
C7H7NO4
SMILES
COC1=C(C=CC(=C1)O)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO4/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,9H,1H3
InChIKey
VDQSACYMBGQMFC-UHFFFAOYSA-N
Compound name
3-methoxy-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

169.0375 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 129.6
[M+Na]+ 192.02672 138.0
[M-H]- 168.03022 132.8
[M+NH4]+ 187.07132 148.9
[M+K]+ 208.00066 133.0
[M+H-H2O]+ 152.03476 129.0
[M+HCOO]- 214.03570 155.0
[M+CH3COO]- 228.05135 170.1
[M+Na-2H]- 190.01217 138.0
[M]+ 169.03695 129.5
[M]- 169.03805 129.5
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