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 135.2
[M+Na]+ 208.05444 143.2
[M-H]- 184.05794 134.3
[M+NH4]+ 203.09904 155.7
[M+K]+ 224.02838 140.0
[M+H-H2O]+ 168.06248 127.5
[M+HCOO]- 230.06342 153.3
[M+CH3COO]- 244.07907 178.5
[M+Na-2H]- 206.03989 139.5
[M]+ 185.06467 130.8
[M]- 185.06577 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