CID 76738

2-methoxy-4-nitrophenol

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

4
References

1786
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

literature stripe

Patent stripe

patents stripe