CID 116619396

1-(difluoromethyl)-5-methoxy-1h-indole

Structural Information

Molecular Formula
C10H9F2NO
SMILES
COC1=CC2=C(C=C1)N(C=C2)C(F)F
InChI
InChI=1S/C10H9F2NO/c1-14-8-2-3-9-7(6-8)4-5-13(9)10(11)12/h2-6,10H,1H3
InChIKey
VTXQFUPANDKPJP-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-5-methoxyindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06522 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07250 139.7
[M+Na]+ 220.05444 151.7
[M+NH4]+ 215.09904 147.4
[M+K]+ 236.02838 147.0
[M-H]- 196.05794 138.8
[M+Na-2H]- 218.03989 145.1
[M]+ 197.06467 141.0
[M]- 197.06577 141.0
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

No patent data available for this compound.