CID 76226

4-fluoro-2-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H4FNO3
SMILES
C1=CC(=C(C=C1F)[N+](=O)[O-])C=O
InChI
InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H
InChIKey
ORCGMGUNVGVHDN-UHFFFAOYSA-N
Compound name
4-fluoro-2-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

230
Patents

169.01752 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02480 127.6
[M+Na]+ 192.00674 140.9
[M+NH4]+ 187.05134 135.3
[M+K]+ 207.98068 137.7
[M-H]- 168.01024 129.3
[M+Na-2H]- 189.99219 134.0
[M]+ 169.01697 129.7
[M]- 169.01807 129.7
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