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]+ 248.00621 137.5
[M+Na]+ 269.98815 147.9
[M-H]- 245.99165 144.0
[M+NH4]+ 265.03275 153.4
[M+K]+ 285.96209 142.3
[M+H-H2O]+ 229.99619 133.8
[M+HCOO]- 291.99713 147.8
[M+CH3COO]- 306.01278 150.1
[M+Na-2H]- 267.97360 141.2
[M]+ 246.99838 142.9
[M]- 246.99948 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.