CID 62379763

5-chloro-7-methyl-1-benzofuran-2-carbonitrile

Structural Information

Molecular Formula
C10H6ClNO
SMILES
CC1=CC(=CC2=C1OC(=C2)C#N)Cl
InChI
InChI=1S/C10H6ClNO/c1-6-2-8(11)3-7-4-9(5-12)13-10(6)7/h2-4H,1H3
InChIKey
GWBIXHNWEKLUIO-UHFFFAOYSA-N
Compound name
5-chloro-7-methyl-1-benzofuran-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0138 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02108 139.3
[M+Na]+ 214.00302 154.8
[M-H]- 190.00652 144.7
[M+NH4]+ 209.04762 160.0
[M+K]+ 229.97696 148.9
[M+H-H2O]+ 174.01106 128.5
[M+HCOO]- 236.01200 157.0
[M+CH3COO]- 250.02765 153.5
[M+Na-2H]- 211.98847 146.1
[M]+ 191.01325 140.1
[M]- 191.01435 140.1
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.