CID 269074

1-fluoro-3-methoxy-5-nitrobenzene

Structural Information

Molecular Formula
C7H6FNO3
SMILES
COC1=CC(=CC(=C1)[N+](=O)[O-])F
InChI
InChI=1S/C7H6FNO3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,1H3
InChIKey
FPDLQPICBDMTLB-UHFFFAOYSA-N
Compound name
1-fluoro-3-methoxy-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

171.03317 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe