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 138.3
[M+Na]+ 203.03465 149.6
[M-H]- 179.03815 141.8
[M+NH4]+ 198.07925 157.3
[M+K]+ 219.00859 144.7
[M+H-H2O]+ 163.04269 127.2
[M+HCOO]- 225.04363 156.0
[M+CH3COO]- 239.05928 195.5
[M+Na-2H]- 201.02010 144.3
[M]+ 180.04488 134.9
[M]- 180.04598 134.9
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