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

1
Patents

201.0112 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.018476 133.4
[M+Na]+ 224.000418 144.2
[M-H]- 200.003924 140.1
[M+NH4]+ 219.045023 149.0
[M+K]+ 239.974358 138.4
[M+H-H2O]+ 184.008460 128.5
[M+HCOO]- 246.009401 150.0
[M+CH3COO]- 260.025051 188.5
[M+Na-2H]- 221.985866 139.9
[M]+ 201.01065142 137.2
[M]- 201.01174858 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

patents stripe