CID 155822810

Tert-butyl n-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate

Structural Information

Molecular Formula
C10H14F2N2O2S
SMILES
CC(C)(C)OC(=O)NC1=CN=C(S1)C(C)(F)F
InChI
InChI=1S/C10H14F2N2O2S/c1-9(2,3)16-8(15)14-6-5-13-7(17-6)10(4,11)12/h5H,1-4H3,(H,14,15)
InChIKey
WGVUENDNYPEIET-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0744 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08168 157.2
[M+Na]+ 287.06362 165.1
[M-H]- 263.06712 157.4
[M+NH4]+ 282.10822 174.9
[M+K]+ 303.03756 163.1
[M+H-H2O]+ 247.07166 149.7
[M+HCOO]- 309.07260 171.1
[M+CH3COO]- 323.08825 194.9
[M+Na-2H]- 285.04907 158.7
[M]+ 264.07385 158.5
[M]- 264.07495 158.5
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.