CID 118258738

2,3,4-trifluoro-5-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H2F3NO3
SMILES
C1=C(C(=C(C(=C1[N+](=O)[O-])F)F)F)C=O
InChI
InChI=1S/C7H2F3NO3/c8-5-3(2-12)1-4(11(13)14)6(9)7(5)10/h1-2H
InChIKey
XNGHOTIOBPMWOL-UHFFFAOYSA-N
Compound name
2,3,4-trifluoro-5-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.99867 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.00595 131.0
[M+Na]+ 227.98789 142.1
[M-H]- 203.99139 132.1
[M+NH4]+ 223.03249 149.9
[M+K]+ 243.96183 135.6
[M+H-H2O]+ 187.99593 127.9
[M+HCOO]- 249.99687 154.6
[M+CH3COO]- 264.01252 180.5
[M+Na-2H]- 225.97334 136.8
[M]+ 204.99812 127.9
[M]- 204.99922 127.9
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