CID 43347965

2-chloro-4-(ethylamino)benzonitrile

Structural Information

Molecular Formula
C9H9ClN2
SMILES
CCNC1=CC(=C(C=C1)C#N)Cl
InChI
InChI=1S/C9H9ClN2/c1-2-12-8-4-3-7(6-11)9(10)5-8/h3-5,12H,2H2,1H3
InChIKey
IYQMYDLOWGUZCM-UHFFFAOYSA-N
Compound name
2-chloro-4-(ethylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.04543 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05271 136.3
[M+Na]+ 203.03465 149.5
[M+NH4]+ 198.07925 142.3
[M+K]+ 219.00859 139.0
[M-H]- 179.03815 132.4
[M+Na-2H]- 201.02010 141.5
[M]+ 180.04488 136.6
[M]- 180.04598 136.6
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