CID 587090

5-fluoro-2-nitrobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

668
Patents

169.01752 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe