CID 24261902

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

Structural Information

Molecular Formula
C15H11FN2S
SMILES
C1=CC(=CC=C1C2=NC(=CS2)C3=CC=C(C=C3)F)N
InChI
InChI=1S/C15H11FN2S/c16-12-5-1-10(2-6-12)14-9-19-15(18-14)11-3-7-13(17)8-4-11/h1-9H,17H2
InChIKey
WZWMNEQQRMTUGF-UHFFFAOYSA-N
Compound name
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

270.06268 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06996 157.2
[M+Na]+ 293.05190 167.7
[M-H]- 269.05540 165.1
[M+NH4]+ 288.09650 174.4
[M+K]+ 309.02584 161.0
[M+H-H2O]+ 253.05994 148.6
[M+HCOO]- 315.06088 176.7
[M+CH3COO]- 329.07653 169.9
[M+Na-2H]- 291.03735 158.5
[M]+ 270.06213 156.6
[M]- 270.06323 156.6
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