CID 7172078

4-fluoro-2-hydroxy-5-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H4FNO4
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])F)O)C=O
InChI
InChI=1S/C7H4FNO4/c8-5-2-7(11)4(3-10)1-6(5)9(12)13/h1-3,11H
InChIKey
KNYWTEATSBRONK-UHFFFAOYSA-N
Compound name
4-fluoro-2-hydroxy-5-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.01244 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.01972 130.0
[M+Na]+ 208.00166 139.6
[M-H]- 184.00516 132.1
[M+NH4]+ 203.04626 148.8
[M+K]+ 223.97560 133.6
[M+H-H2O]+ 168.00970 128.7
[M+HCOO]- 230.01064 154.5
[M+CH3COO]- 244.02629 172.9
[M+Na-2H]- 205.98711 137.3
[M]+ 185.01189 128.4
[M]- 185.01299 128.4
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

No patent data available for this compound.