CID 4365990

4-[(2-chlorophenyl)sulfanyl]aniline

Structural Information

Molecular Formula
C12H10ClNS
SMILES
C1=CC=C(C(=C1)SC2=CC=C(C=C2)N)Cl
InChI
InChI=1S/C12H10ClNS/c13-11-3-1-2-4-12(11)15-10-7-5-9(14)6-8-10/h1-8H,14H2
InChIKey
KAYQOCCQCIIXSP-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

235.02225 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.029526 147.1
[M+Na]+ 258.011468 156.8
[M-H]- 234.014974 153.9
[M+NH4]+ 253.056073 166.1
[M+K]+ 273.985408 150.2
[M+H-H2O]+ 218.019510 141.4
[M+HCOO]- 280.020451 162.9
[M+CH3COO]- 294.036101 160.3
[M+Na-2H]- 255.996916 150.8
[M]+ 235.02170142 148.9
[M]- 235.02279858 148.9
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

patents stripe