CID 1506604

3-chloro-4-(pyridin-2-ylsulfanyl)aniline

Structural Information

Molecular Formula
C11H9ClN2S
SMILES
C1=CC=NC(=C1)SC2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C11H9ClN2S/c12-9-7-8(13)4-5-10(9)15-11-3-1-2-6-14-11/h1-7H,13H2
InChIKey
PACAIUWMHIKTMI-UHFFFAOYSA-N
Compound name
3-chloro-4-pyridin-2-ylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

236.0175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.024776 146.6
[M+Na]+ 259.006718 156.7
[M-H]- 235.010224 152.1
[M+NH4]+ 254.051323 164.2
[M+K]+ 274.980658 150.2
[M+H-H2O]+ 219.014760 140.1
[M+HCOO]- 281.015701 161.4
[M+CH3COO]- 295.031351 159.4
[M+Na-2H]- 256.992166 150.8
[M]+ 236.01695142 148.5
[M]- 236.01804858 148.5
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

patents stripe