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

10
Patents

183.04958 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05686 132.0
[M+Na]+ 206.03880 142.2
[M-H]- 182.04230 131.9
[M+NH4]+ 201.08340 152.9
[M+K]+ 222.01274 138.5
[M+H-H2O]+ 166.04684 124.4
[M+HCOO]- 228.04778 153.0
[M+CH3COO]- 242.06343 177.9
[M+Na-2H]- 204.02425 138.4
[M]+ 183.04903 130.6
[M]- 183.05013 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