CID 7148550

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline hydrochloride

Structural Information

Molecular Formula
C15H11ClN2S
SMILES
C1=CC(=CC(=C1)N)C2=NC(=CS2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H11ClN2S/c16-12-6-4-10(5-7-12)14-9-19-15(18-14)11-2-1-3-13(17)8-11/h1-9H,17H2
InChIKey
IXBZVEDHEIFAER-UHFFFAOYSA-N
Compound name
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.03314 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04042 162.6
[M+Na]+ 309.02236 173.6
[M-H]- 285.02586 171.7
[M+NH4]+ 304.06696 180.0
[M+K]+ 324.99630 166.0
[M+H-H2O]+ 269.03040 155.4
[M+HCOO]- 331.03134 178.4
[M+CH3COO]- 345.04699 175.3
[M+Na-2H]- 307.00781 163.8
[M]+ 286.03259 165.0
[M]- 286.03369 165.0
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.