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]+ 181.052706 138.3
[M+Na]+ 203.034648 149.6
[M-H]- 179.038154 141.8
[M+NH4]+ 198.079253 157.3
[M+K]+ 219.008588 144.7
[M+H-H2O]+ 163.042690 127.2
[M+HCOO]- 225.043631 156.0
[M+CH3COO]- 239.059281 195.5
[M+Na-2H]- 201.020096 144.3
[M]+ 180.04488142 134.9
[M]- 180.04597858 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