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

137
Patents

199.02809 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03537 134.8
[M+Na]+ 222.01731 144.4
[M-H]- 198.02081 138.2
[M+NH4]+ 217.06191 153.7
[M+K]+ 237.99125 139.1
[M+H-H2O]+ 182.02535 133.0
[M+HCOO]- 244.02629 160.5
[M+CH3COO]- 258.04194 178.8
[M+Na-2H]- 220.00276 142.0
[M]+ 199.02754 135.4
[M]- 199.02864 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