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
3
Annotation Hits

0
References

240
Patents

169.01752 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.024796 127.5
[M+Na]+ 192.006738 136.8
[M-H]- 168.010244 130.7
[M+NH4]+ 187.051343 147.5
[M+K]+ 207.980678 131.2
[M+H-H2O]+ 152.014780 126.0
[M+HCOO]- 214.015721 153.4
[M+CH3COO]- 228.031371 172.5
[M+Na-2H]- 189.992186 135.7
[M]+ 169.01697142 126.0
[M]- 169.01806858 126.0
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