CID 85858088

2-fluoro-4-methoxy-5-nitrobenzaldehyde

Structural Information

Molecular Formula
C8H6FNO4
SMILES
COC1=C(C=C(C(=C1)F)C=O)[N+](=O)[O-]
InChI
InChI=1S/C8H6FNO4/c1-14-8-3-6(9)5(4-11)2-7(8)10(12)13/h2-4H,1H3
InChIKey
VBSYSLUOPPFQMO-UHFFFAOYSA-N
Compound name
2-fluoro-4-methoxy-5-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

199.02809 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.035366 134.8
[M+Na]+ 222.017308 144.4
[M-H]- 198.020814 138.2
[M+NH4]+ 217.061913 153.7
[M+K]+ 237.991248 139.1
[M+H-H2O]+ 182.025350 133.0
[M+HCOO]- 244.026291 160.5
[M+CH3COO]- 258.041941 178.8
[M+Na-2H]- 220.002756 142.0
[M]+ 199.02754142 135.4
[M]- 199.02863858 135.4
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