CID 21416461

2-fluoro-1-methoxy-3-nitrobenzene

Structural Information

Molecular Formula
C7H6FNO3
SMILES
COC1=CC=CC(=C1F)[N+](=O)[O-]
InChI
InChI=1S/C7H6FNO3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,1H3
InChIKey
WDQHQUDZNPCCAF-UHFFFAOYSA-N
Compound name
2-fluoro-1-methoxy-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

171.03317 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04045 128.8
[M+Na]+ 194.02239 137.8
[M-H]- 170.02589 132.0
[M+NH4]+ 189.06699 148.8
[M+K]+ 209.99633 132.8
[M+H-H2O]+ 154.03043 127.2
[M+HCOO]- 216.03137 154.4
[M+CH3COO]- 230.04702 173.6
[M+Na-2H]- 192.00784 137.0
[M]+ 171.03262 128.0
[M]- 171.03372 128.0
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