CID 22465321

3-fluoro-2-nitrobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

169.01752 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02480 127.5
[M+Na]+ 192.00674 136.8
[M-H]- 168.01024 130.7
[M+NH4]+ 187.05134 147.5
[M+K]+ 207.98068 131.2
[M+H-H2O]+ 152.01478 126.0
[M+HCOO]- 214.01572 153.4
[M+CH3COO]- 228.03137 172.5
[M+Na-2H]- 189.99219 135.7
[M]+ 169.01697 126.0
[M]- 169.01807 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