CID 86699283

4-(difluoromethoxy)-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C9H9F2NO
SMILES
C1CNC2=C1C(=CC=C2)OC(F)F
InChI
InChI=1S/C9H9F2NO/c10-9(11)13-8-3-1-2-7-6(8)4-5-12-7/h1-3,9,12H,4-5H2
InChIKey
FRDWVMFQCYPGDN-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

185.06522 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07250 138.2
[M+Na]+ 208.05444 147.7
[M+NH4]+ 203.09904 145.6
[M+K]+ 224.02838 143.8
[M-H]- 184.05794 136.4
[M+Na-2H]- 206.03989 141.8
[M]+ 185.06467 138.7
[M]- 185.06577 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

patents stripe