CID 86664217

2-fluoro-4-hydroxy-5-nitrobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

185.01244 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.019716 130.0
[M+Na]+ 208.001658 139.6
[M-H]- 184.005164 132.1
[M+NH4]+ 203.046263 148.8
[M+K]+ 223.975598 133.6
[M+H-H2O]+ 168.009700 128.7
[M+HCOO]- 230.010641 154.5
[M+CH3COO]- 244.026291 172.9
[M+Na-2H]- 205.987106 137.3
[M]+ 185.01189142 128.4
[M]- 185.01298858 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

patents stripe