CID 62923595

[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanol

Structural Information

Molecular Formula
C10H7F2NOS
SMILES
C1=CC(=C(C(=C1)F)C2=CSC(=N2)CO)F
InChI
InChI=1S/C10H7F2NOS/c11-6-2-1-3-7(12)10(6)8-5-15-9(4-14)13-8/h1-3,5,14H,4H2
InChIKey
YLMCBYPHKNAOTH-UHFFFAOYSA-N
Compound name
[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.02164 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.02892 141.8
[M+Na]+ 250.01086 153.1
[M-H]- 226.01436 144.6
[M+NH4]+ 245.05546 160.9
[M+K]+ 265.98480 148.1
[M+H-H2O]+ 210.01890 134.0
[M+HCOO]- 272.01984 158.6
[M+CH3COO]- 286.03549 184.6
[M+Na-2H]- 247.99631 142.6
[M]+ 227.02109 141.9
[M]- 227.02219 141.9
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.