CID 155943682

[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol

Structural Information

Molecular Formula
C6H7F2NOS
SMILES
CC(C1=NC=C(S1)CO)(F)F
InChI
InChI=1S/C6H7F2NOS/c1-6(7,8)5-9-2-4(3-10)11-5/h2,10H,3H2,1H3
InChIKey
BJJIRUGUVHWOKD-UHFFFAOYSA-N
Compound name
[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02164 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02892 131.9
[M+Na]+ 202.01086 141.8
[M-H]- 178.01436 131.1
[M+NH4]+ 197.05546 152.7
[M+K]+ 217.98480 139.2
[M+H-H2O]+ 162.01890 125.3
[M+HCOO]- 224.01984 146.8
[M+CH3COO]- 238.03549 175.2
[M+Na-2H]- 199.99631 134.2
[M]+ 179.02109 131.5
[M]- 179.02219 131.5
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.