CID 2410363

2-(chloromethyl)indolizine-1-carbonitrile

Structural Information

Molecular Formula
C10H7ClN2
SMILES
C1=CC2=C(C(=CN2C=C1)CCl)C#N
InChI
InChI=1S/C10H7ClN2/c11-5-8-7-13-4-2-1-3-10(13)9(8)6-12/h1-4,7H,5H2
InChIKey
QJEGZGGXGQIJLS-UHFFFAOYSA-N
Compound name
2-(chloromethyl)indolizine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

190.02977 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.037046 140.5
[M+Na]+ 213.018988 154.6
[M-H]- 189.022494 143.3
[M+NH4]+ 208.063593 160.6
[M+K]+ 228.992928 147.4
[M+H-H2O]+ 173.027030 128.1
[M+HCOO]- 235.027971 157.4
[M+CH3COO]- 249.043621 153.4
[M+Na-2H]- 211.004436 146.9
[M]+ 190.02922142 139.2
[M]- 190.03031858 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

literature stripe

Patent stripe

patents stripe