CID 103513584

2,2-difluoro-1-(1-methyl-1h-indol-3-yl)ethan-1-one

Structural Information

Molecular Formula
C11H9F2NO
SMILES
CN1C=C(C2=CC=CC=C21)C(=O)C(F)F
InChI
InChI=1S/C11H9F2NO/c1-14-6-8(10(15)11(12)13)7-4-2-3-5-9(7)14/h2-6,11H,1H3
InChIKey
BXOAWDUEFBJBGR-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(1-methylindol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06522 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07250 140.1
[M+Na]+ 232.05444 150.8
[M-H]- 208.05794 141.6
[M+NH4]+ 227.09904 160.8
[M+K]+ 248.02838 147.3
[M+H-H2O]+ 192.06248 132.3
[M+HCOO]- 254.06342 161.1
[M+CH3COO]- 268.07907 187.7
[M+Na-2H]- 230.03989 143.9
[M]+ 209.06467 140.3
[M]- 209.06577 140.3
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.