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

2
Patents

177.05899 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.066266 133.0
[M+Na]+ 200.048208 143.9
[M-H]- 176.051714 134.6
[M+NH4]+ 195.092813 154.4
[M+K]+ 216.022148 139.8
[M+H-H2O]+ 160.056250 126.5
[M+HCOO]- 222.057191 154.9
[M+CH3COO]- 236.072841 178.4
[M+Na-2H]- 198.033656 138.7
[M]+ 177.05844142 132.7
[M]- 177.05953858 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