CID 86699285

4-(difluoromethoxy)-1h-indole

Structural Information

Molecular Formula
C9H7F2NO
SMILES
C1=CC2=C(C=CN2)C(=C1)OC(F)F
InChI
InChI=1S/C9H7F2NO/c10-9(11)13-8-3-1-2-7-6(8)4-5-12-7/h1-5,9,12H
InChIKey
CNNIHWDSFVSNAU-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

183.04958 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.056856 132.0
[M+Na]+ 206.038798 142.2
[M-H]- 182.042304 131.9
[M+NH4]+ 201.083403 152.9
[M+K]+ 222.012738 138.5
[M+H-H2O]+ 166.046840 124.4
[M+HCOO]- 228.047781 153.0
[M+CH3COO]- 242.063431 177.9
[M+Na-2H]- 204.024246 138.4
[M]+ 183.04903142 130.6
[M]- 183.05012858 130.6
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

patents stripe