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

21
Patents

190.05424 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.061516 137.5
[M+Na]+ 213.043458 151.0
[M-H]- 189.046964 138.4
[M+NH4]+ 208.088063 156.4
[M+K]+ 229.017398 145.3
[M+H-H2O]+ 173.051500 124.2
[M+HCOO]- 235.052441 156.6
[M+CH3COO]- 249.068091 150.0
[M+Na-2H]- 211.028906 143.0
[M]+ 190.05369142 133.5
[M]- 190.05478858 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