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]+ 206.005946 131.0
[M+Na]+ 227.987888 142.1
[M-H]- 203.991394 132.1
[M+NH4]+ 223.032493 149.9
[M+K]+ 243.961828 135.6
[M+H-H2O]+ 187.995930 127.9
[M+HCOO]- 249.996871 154.6
[M+CH3COO]- 264.012521 180.5
[M+Na-2H]- 225.973336 136.8
[M]+ 204.99812142 127.9
[M]- 204.99921858 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