CID 119031602

2-(5-bromo-6-fluoro-1h-indol-3-yl)acetonitrile

Structural Information

Molecular Formula
C10H6BrFN2
SMILES
C1=C2C(=CC(=C1Br)F)NC=C2CC#N
InChI
InChI=1S/C10H6BrFN2/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12/h3-5,14H,1H2
InChIKey
SKEVQYHEBYZOCX-UHFFFAOYSA-N
Compound name
2-(5-bromo-6-fluoro-1H-indol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.96983 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.97711 145.0
[M+Na]+ 274.95905 161.4
[M-H]- 250.96255 147.2
[M+NH4]+ 270.00365 164.8
[M+K]+ 290.93299 147.1
[M+H-H2O]+ 234.96709 137.5
[M+HCOO]- 296.96803 163.9
[M+CH3COO]- 310.98368 158.5
[M+Na-2H]- 272.94450 151.2
[M]+ 251.96928 156.6
[M]- 251.97038 156.6
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

No patent data available for this compound.