CID 28786547

3-chloro-4-(thiomorpholin-4-yl)aniline

Structural Information

Molecular Formula
C10H13ClN2S
SMILES
C1CSCCN1C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C10H13ClN2S/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
InChIKey
KPESAFMKFLZNBC-UHFFFAOYSA-N
Compound name
3-chloro-4-thiomorpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.0488 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05608 146.6
[M+Na]+ 251.03802 153.9
[M-H]- 227.04152 151.1
[M+NH4]+ 246.08262 164.3
[M+K]+ 267.01196 148.4
[M+H-H2O]+ 211.04606 140.2
[M+HCOO]- 273.04700 157.4
[M+CH3COO]- 287.06265 158.1
[M+Na-2H]- 249.02347 148.3
[M]+ 228.04825 143.8
[M]- 228.04935 143.8
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.