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]+ 212.05176 138.6
[M+Na]+ 234.03370 149.4
[M-H]- 210.03720 138.8
[M+NH4]+ 229.07830 158.5
[M+K]+ 250.00764 145.4
[M+H-H2O]+ 194.04174 130.9
[M+HCOO]- 256.04268 159.7
[M+CH3COO]- 270.05833 183.2
[M+Na-2H]- 232.01915 143.7
[M]+ 211.04393 138.7
[M]- 211.04503 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.