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

4
Patents

233.97926 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.986536 143.4
[M+Na]+ 256.968478 159.1
[M-H]- 232.971984 146.5
[M+NH4]+ 252.013083 163.6
[M+K]+ 272.942418 145.1
[M+H-H2O]+ 216.976520 136.5
[M+HCOO]- 278.977461 163.1
[M+CH3COO]- 292.993111 157.1
[M+Na-2H]- 254.953926 150.7
[M]+ 233.97871142 155.6
[M]- 233.97980858 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