CID 4300659

2-(4-chloro-1h-indol-3-yl)acetonitrile

Structural Information

Molecular Formula
C10H7ClN2
SMILES
C1=CC2=C(C(=C1)Cl)C(=CN2)CC#N
InChI
InChI=1S/C10H7ClN2/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-3,6,13H,4H2
InChIKey
GCFQUQOQJAOLHL-UHFFFAOYSA-N
Compound name
2-(4-chloro-1H-indol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

190.02977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03705 141.7
[M+Na]+ 213.01899 155.5
[M-H]- 189.02249 143.4
[M+NH4]+ 208.06359 161.3
[M+K]+ 228.99293 147.6
[M+H-H2O]+ 173.02703 129.7
[M+HCOO]- 235.02797 157.3
[M+CH3COO]- 249.04362 154.0
[M+Na-2H]- 211.00444 147.7
[M]+ 190.02922 138.8
[M]- 190.03032 138.8
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.