CID 11140

3-nitroanisole

Structural Information

Molecular Formula
C7H7NO3
SMILES
COC1=CC=CC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
InChIKey
WGYFINWERLNPHR-UHFFFAOYSA-N
Compound name
1-methoxy-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1795
Patents

153.04259 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 127.1
[M+Na]+ 176.03181 135.2
[M-H]- 152.03531 131.4
[M+NH4]+ 171.07641 147.6
[M+K]+ 192.00575 130.6
[M+H-H2O]+ 136.03985 126.3
[M+HCOO]- 198.04079 153.8
[M+CH3COO]- 212.05644 169.8
[M+Na-2H]- 174.01726 136.5
[M]+ 153.04204 127.1
[M]- 153.04314 127.1
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