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

9
Patents

185.06522 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.072496 135.2
[M+Na]+ 208.054438 143.2
[M-H]- 184.057944 134.3
[M+NH4]+ 203.099043 155.7
[M+K]+ 224.028378 140.0
[M+H-H2O]+ 168.062480 127.5
[M+HCOO]- 230.063421 153.3
[M+CH3COO]- 244.079071 178.5
[M+Na-2H]- 206.039886 139.5
[M]+ 185.06467142 130.8
[M]- 185.06576858 130.8
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