CID 78613

Naphthalene, 1-methoxy-4-nitro-

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=CC=C(C2=CC=CC=C21)[N+](=O)[O-]
InChI
InChI=1S/C11H9NO3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3
InChIKey
YFJKGPRYPHFGQD-UHFFFAOYSA-N
Compound name
1-methoxy-4-nitronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

95
Patents

203.05824 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 139.5
[M+Na]+ 226.04746 147.7
[M-H]- 202.05096 144.5
[M+NH4]+ 221.09206 158.9
[M+K]+ 242.02140 141.5
[M+H-H2O]+ 186.05550 137.9
[M+HCOO]- 248.05644 164.6
[M+CH3COO]- 262.07209 180.6
[M+Na-2H]- 224.03291 149.3
[M]+ 203.05769 140.0
[M]- 203.05879 140.0
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