CID 24905135

2-(7-bromo-1h-indol-3-yl)acetonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

No literature data available for this compound.

Patent stripe

patents stripe