CID 82539878

3,5-dichloro-n-cyclopropylaniline

Structural Information

Molecular Formula
C9H9Cl2N
SMILES
C1CC1NC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C9H9Cl2N/c10-6-3-7(11)5-9(4-6)12-8-1-2-8/h3-5,8,12H,1-2H2
InChIKey
JSTKKHMYMZDSOJ-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-cyclopropylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0112 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.01848 133.4
[M+Na]+ 224.00042 144.2
[M-H]- 200.00392 140.1
[M+NH4]+ 219.04502 149.0
[M+K]+ 239.97436 138.4
[M+H-H2O]+ 184.00846 128.5
[M+HCOO]- 246.00940 150.0
[M+CH3COO]- 260.02505 188.5
[M+Na-2H]- 221.98587 139.9
[M]+ 201.01065 137.2
[M]- 201.01175 137.2
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

No patent data available for this compound.