CID 86767892

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

Structural Information

Molecular Formula
C5H4F3NOS
SMILES
C1=C(SC(=N1)CO)C(F)(F)F
InChI
InChI=1S/C5H4F3NOS/c6-5(7,8)3-1-9-4(2-10)11-3/h1,10H,2H2
InChIKey
AJMIKMUFSHGHLA-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

182.99657 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.00385 129.4
[M+Na]+ 205.98579 139.8
[M-H]- 181.98929 127.3
[M+NH4]+ 201.03039 150.0
[M+K]+ 221.95973 137.0
[M+H-H2O]+ 165.99383 122.0
[M+HCOO]- 227.99477 143.5
[M+CH3COO]- 242.01042 174.3
[M+Na-2H]- 203.97124 131.7
[M]+ 182.99602 127.3
[M]- 182.99712 127.3
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