CID 51342039

1221684-43-0

Structural Information

Molecular Formula
C10H8FNO
SMILES
CC(=O)C1=CC(=C2C(=C1)C=CN2)F
InChI
InChI=1S/C10H8FNO/c1-6(13)8-4-7-2-3-12-10(7)9(11)5-8/h2-5,12H,1H3
InChIKey
RGHWJYVPTAEIPT-UHFFFAOYSA-N
Compound name
1-(7-fluoro-1H-indol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.05899 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06627 133.0
[M+Na]+ 200.04821 143.9
[M-H]- 176.05171 134.6
[M+NH4]+ 195.09281 154.4
[M+K]+ 216.02215 139.8
[M+H-H2O]+ 160.05625 126.5
[M+HCOO]- 222.05719 154.9
[M+CH3COO]- 236.07284 178.4
[M+Na-2H]- 198.03366 138.7
[M]+ 177.05844 132.7
[M]- 177.05954 132.7
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