CID 167738601

4-(difluoromethoxy)-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C10H7F2NO2
SMILES
C1=CC2=C(C(=C1)OC(F)F)C(=CN2)C=O
InChI
InChI=1S/C10H7F2NO2/c11-10(12)15-8-3-1-2-7-9(8)6(5-14)4-13-7/h1-5,10,13H
InChIKey
KASOLNMDGBJMHI-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04448 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.051756 138.6
[M+Na]+ 234.033698 149.4
[M-H]- 210.037204 138.8
[M+NH4]+ 229.078303 158.5
[M+K]+ 250.007638 145.4
[M+H-H2O]+ 194.041740 130.9
[M+HCOO]- 256.042681 159.7
[M+CH3COO]- 270.058331 183.2
[M+Na-2H]- 232.019146 143.7
[M]+ 211.04393142 138.7
[M]- 211.04502858 138.7
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.