CID 129916995

7-fluoro-4-methoxy-1h-indole-2-carbonitrile

Structural Information

Molecular Formula
C10H7FN2O
SMILES
COC1=C2C=C(NC2=C(C=C1)F)C#N
InChI
InChI=1S/C10H7FN2O/c1-14-9-3-2-8(11)10-7(9)4-6(5-12)13-10/h2-4,13H,1H3
InChIKey
RGPPPJDPFGMCFV-UHFFFAOYSA-N
Compound name
7-fluoro-4-methoxy-1H-indole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

190.05424 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06152 137.5
[M+Na]+ 213.04346 151.0
[M-H]- 189.04696 138.4
[M+NH4]+ 208.08806 156.4
[M+K]+ 229.01740 145.3
[M+H-H2O]+ 173.05150 124.2
[M+HCOO]- 235.05244 156.6
[M+CH3COO]- 249.06809 150.0
[M+Na-2H]- 211.02891 143.0
[M]+ 190.05369 133.5
[M]- 190.05479 133.5
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