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

62
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

literature stripe

Patent stripe

patents stripe