CID 13344593

2,4-dichloro-n-ethylaniline hydrochloride

Structural Information

Molecular Formula
C8H9Cl2N
SMILES
CCNC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C8H9Cl2N/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3
InChIKey
XPCHQESFRULWBG-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

189.0112 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01848 135.9
[M+Na]+ 212.00042 145.9
[M-H]- 188.00392 139.2
[M+NH4]+ 207.04502 157.1
[M+K]+ 227.97436 140.7
[M+H-H2O]+ 172.00846 132.3
[M+HCOO]- 234.00940 152.1
[M+CH3COO]- 248.02505 184.0
[M+Na-2H]- 209.98587 142.2
[M]+ 189.01065 138.4
[M]- 189.01175 138.4
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