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

17
Patents

236.0175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.02478 146.6
[M+Na]+ 259.00672 156.7
[M-H]- 235.01022 152.1
[M+NH4]+ 254.05132 164.2
[M+K]+ 274.98066 150.2
[M+H-H2O]+ 219.01476 140.1
[M+HCOO]- 281.01570 161.4
[M+CH3COO]- 295.03135 159.4
[M+Na-2H]- 256.99217 150.8
[M]+ 236.01695 148.5
[M]- 236.01805 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