CID 15819328

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

Structural Information

Molecular Formula
C10H7BrN2
SMILES
C1=CC2=C(C=C1Br)NC=C2CC#N
InChI
InChI=1S/C10H7BrN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3H2
InChIKey
MSIDSSLYDVKLRA-UHFFFAOYSA-N
Compound name
2-(6-bromo-1H-indol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

233.97926 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.98654 143.4
[M+Na]+ 256.96848 159.1
[M-H]- 232.97198 146.5
[M+NH4]+ 252.01308 163.6
[M+K]+ 272.94242 145.1
[M+H-H2O]+ 216.97652 136.5
[M+HCOO]- 278.97746 163.1
[M+CH3COO]- 292.99311 157.1
[M+Na-2H]- 254.95393 150.7
[M]+ 233.97871 155.6
[M]- 233.97981 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe