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]+ 287.040416 162.6
[M+Na]+ 309.022358 173.6
[M-H]- 285.025864 171.7
[M+NH4]+ 304.066963 180.0
[M+K]+ 324.996298 166.0
[M+H-H2O]+ 269.030400 155.4
[M+HCOO]- 331.031341 178.4
[M+CH3COO]- 345.046991 175.3
[M+Na-2H]- 307.007806 163.8
[M]+ 286.03259142 165.0
[M]- 286.03368858 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.