CID 10877928

2,3-dichloro-n-ethylaniline hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

189.0112 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.018476 135.9
[M+Na]+ 212.000418 145.9
[M-H]- 188.003924 139.2
[M+NH4]+ 207.045023 157.1
[M+K]+ 227.974358 140.7
[M+H-H2O]+ 172.008460 132.3
[M+HCOO]- 234.009401 152.1
[M+CH3COO]- 248.025051 184.0
[M+Na-2H]- 209.985866 142.2
[M]+ 189.01065142 138.4
[M]- 189.01174858 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