CID 45791406

1146290-11-0

Structural Information

Molecular Formula
C10H11Cl2NS
SMILES
C1C(C1(Cl)Cl)CSC2=CC=CC=C2N
InChI
InChI=1S/C10H11Cl2NS/c11-10(12)5-7(10)6-14-9-4-2-1-3-8(9)13/h1-4,7H,5-6,13H2
InChIKey
ABBVLAQJFLFDOB-UHFFFAOYSA-N
Compound name
2-[(2,2-dichlorocyclopropyl)methylsulfanyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.99893 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.006206 137.5
[M+Na]+ 269.988148 147.9
[M-H]- 245.991654 144.0
[M+NH4]+ 265.032753 153.4
[M+K]+ 285.962088 142.3
[M+H-H2O]+ 229.996190 133.8
[M+HCOO]- 291.997131 147.8
[M+CH3COO]- 306.012781 150.1
[M+Na-2H]- 267.973596 141.2
[M]+ 246.99838142 142.9
[M]- 246.99947858 142.9
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.