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

238
Patents

165.05899 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.066266 128.8
[M+Na]+ 188.048208 140.3
[M-H]- 164.051714 130.5
[M+NH4]+ 183.092813 151.0
[M+K]+ 204.022148 136.6
[M+H-H2O]+ 148.056250 122.5
[M+HCOO]- 210.057191 152.0
[M+CH3COO]- 224.072841 175.4
[M+Na-2H]- 186.033656 136.3
[M]+ 165.05844142 129.6
[M]- 165.05953858 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