CID 7485

4-nitroanisole

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

116
References

4517
Patents

153.04259 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 127.1
[M+Na]+ 176.031808 135.2
[M-H]- 152.035314 131.4
[M+NH4]+ 171.076413 147.6
[M+K]+ 192.005748 130.6
[M+H-H2O]+ 136.039850 126.3
[M+HCOO]- 198.040791 153.8
[M+CH3COO]- 212.056441 169.8
[M+Na-2H]- 174.017256 136.5
[M]+ 153.04204142 127.1
[M]- 153.04313858 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