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

3
Patents

235.02225 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.02953 147.1
[M+Na]+ 258.01147 156.8
[M-H]- 234.01497 153.9
[M+NH4]+ 253.05607 166.1
[M+K]+ 273.98541 150.2
[M+H-H2O]+ 218.01951 141.4
[M+HCOO]- 280.02045 162.9
[M+CH3COO]- 294.03610 160.3
[M+Na-2H]- 255.99692 150.8
[M]+ 235.02170 148.9
[M]- 235.02280 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