CID 13803017

3,4-dichloro-n-(propan-2-yl)aniline

Structural Information

Molecular Formula
C9H11Cl2N
SMILES
CC(C)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H11Cl2N/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6,12H,1-2H3
InChIKey
APRDBMFEPXNCSK-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

203.02686 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.034136 140.4
[M+Na]+ 226.016078 149.7
[M-H]- 202.019584 143.6
[M+NH4]+ 221.060683 161.0
[M+K]+ 241.990018 144.6
[M+H-H2O]+ 186.024120 136.7
[M+HCOO]- 248.025061 155.3
[M+CH3COO]- 262.040711 187.8
[M+Na-2H]- 224.001526 144.9
[M]+ 203.02631142 142.7
[M]- 203.02740858 142.7
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