CID 17889230

6-fluoro-5-methoxy-1h-indole

Structural Information

Molecular Formula
C9H8FNO
SMILES
COC1=C(C=C2C(=C1)C=CN2)F
InChI
InChI=1S/C9H8FNO/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h2-5,11H,1H3
InChIKey
DANYGEQACAPBOK-UHFFFAOYSA-N
Compound name
6-fluoro-5-methoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

165.05899 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 128.8
[M+Na]+ 188.04821 140.3
[M-H]- 164.05171 130.5
[M+NH4]+ 183.09281 151.0
[M+K]+ 204.02215 136.6
[M+H-H2O]+ 148.05625 122.5
[M+HCOO]- 210.05719 152.0
[M+CH3COO]- 224.07284 175.4
[M+Na-2H]- 186.03366 136.3
[M]+ 165.05844 129.6
[M]- 165.05954 129.6
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