CID 20714347

4-chloro-3-ethylaniline

Structural Information

Molecular Formula
C8H10ClN
SMILES
CCC1=C(C=CC(=C1)N)Cl
InChI
InChI=1S/C8H10ClN/c1-2-6-5-7(10)3-4-8(6)9/h3-5H,2,10H2,1H3
InChIKey
RFPXQROYDXYJFA-UHFFFAOYSA-N
Compound name
4-chloro-3-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

155.05017 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05745 129.8
[M+Na]+ 178.03939 139.5
[M-H]- 154.04289 133.5
[M+NH4]+ 173.08399 151.8
[M+K]+ 194.01333 135.5
[M+H-H2O]+ 138.04743 125.6
[M+HCOO]- 200.04837 150.5
[M+CH3COO]- 214.06402 178.5
[M+Na-2H]- 176.02484 135.9
[M]+ 155.04962 130.3
[M]- 155.05072 130.3
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