CID 23149144

1-(chloromethyl)-1h-indole-3-carbonitrile

Structural Information

Molecular Formula
C10H7ClN2
SMILES
C1=CC=C2C(=C1)C(=CN2CCl)C#N
InChI
InChI=1S/C10H7ClN2/c11-7-13-6-8(5-12)9-3-1-2-4-10(9)13/h1-4,6H,7H2
InChIKey
LAWPSHCWHBBAIT-UHFFFAOYSA-N
Compound name
1-(chloromethyl)indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 140.5
[M+Na]+ 213.01899 154.6
[M-H]- 189.02249 143.3
[M+NH4]+ 208.06359 160.6
[M+K]+ 228.99293 147.4
[M+H-H2O]+ 173.02703 128.1
[M+HCOO]- 235.02797 157.4
[M+CH3COO]- 249.04362 153.4
[M+Na-2H]- 211.00444 146.9
[M]+ 190.02922 139.2
[M]- 190.03032 139.2
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