CID 12324169

2-(5-chloro-1h-indol-3-yl)acetonitrile

Structural Information

Molecular Formula
C10H7ClN2
SMILES
C1=CC2=C(C=C1Cl)C(=CN2)CC#N
InChI
InChI=1S/C10H7ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2
InChIKey
UHFZUNGNGGEESB-UHFFFAOYSA-N
Compound name
2-(5-chloro-1H-indol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

190.02977 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.037046 141.7
[M+Na]+ 213.018988 155.5
[M-H]- 189.022494 143.4
[M+NH4]+ 208.063593 161.3
[M+K]+ 228.992928 147.6
[M+H-H2O]+ 173.027030 129.7
[M+HCOO]- 235.027971 157.3
[M+CH3COO]- 249.043621 154.0
[M+Na-2H]- 211.004436 147.7
[M]+ 190.02922142 138.8
[M]- 190.03031858 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

literature stripe

Patent stripe

patents stripe