CID 125511632

Tert-butyl 2-chloro-4-(difluoromethyl)-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C9H10ClF2NO2S
SMILES
CC(C)(C)OC(=O)C1=C(N=C(S1)Cl)C(F)F
InChI
InChI=1S/C9H10ClF2NO2S/c1-9(2,3)15-7(14)5-4(6(11)12)13-8(10)16-5/h6H,1-3H3
InChIKey
QZADFZKVDGZSKU-UHFFFAOYSA-N
Compound name
tert-butyl 2-chloro-4-(difluoromethyl)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.00888 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.01616 152.0
[M+Na]+ 291.99810 162.1
[M-H]- 268.00160 152.8
[M+NH4]+ 287.04270 170.9
[M+K]+ 307.97204 158.7
[M+H-H2O]+ 252.00614 145.8
[M+HCOO]- 314.00708 161.2
[M+CH3COO]- 328.02273 193.1
[M+Na-2H]- 289.98355 150.5
[M]+ 269.00833 156.1
[M]- 269.00943 156.1
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.