CID 45791406

2-{[(2,2-dichlorocyclopropyl)methyl]sulfanyl}aniline

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 148.8
[M+Na]+ 269.98815 163.9
[M+NH4]+ 265.03275 160.8
[M+K]+ 285.96209 153.6
[M-H]- 245.99165 160.0
[M+Na-2H]- 267.97360 160.2
[M]+ 246.99838 156.5
[M]- 246.99948 156.5
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.