CID 2776702

30683-38-6

Structural Information

Molecular Formula
C9H3F4NO
SMILES
C1=C(C2=C(N1)C(=C(C(=C2F)F)F)F)C=O
InChI
InChI=1S/C9H3F4NO/c10-5-4-3(2-15)1-14-9(4)8(13)7(12)6(5)11/h1-2,14H
InChIKey
BHGCCJJOMNIVOA-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrafluoro-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

217.01508 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02236 134.8
[M+Na]+ 240.00430 149.3
[M-H]- 216.00780 133.4
[M+NH4]+ 235.04890 155.3
[M+K]+ 255.97824 143.6
[M+H-H2O]+ 200.01234 126.3
[M+HCOO]- 262.01328 154.8
[M+CH3COO]- 276.02893 186.6
[M+Na-2H]- 237.98975 138.4
[M]+ 217.01453 132.6
[M]- 217.01563 132.6
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

No patent data available for this compound.