CID 3603767

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C13H5F9N2OS
SMILES
C1=CC(=C(C=C1C2=CSC(=N2)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C13H5F9N2OS/c14-6-2-1-5(3-7(6)15)8-4-26-10(23-8)24-9(25)11(16,17)12(18,19)13(20,21)22/h1-4H,(H,23,24,25)
InChIKey
NMSMFTYYEWHMJX-UHFFFAOYSA-N
Compound name
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

407.9979 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.00518 177.4
[M+Na]+ 430.98712 187.7
[M-H]- 406.99062 172.4
[M+NH4]+ 426.03172 188.6
[M+K]+ 446.96106 181.4
[M+H-H2O]+ 390.99516 163.5
[M+HCOO]- 452.99610 182.6
[M+CH3COO]- 467.01175 220.5
[M+Na-2H]- 428.97257 176.1
[M]+ 407.99735 167.9
[M]- 407.99845 167.9
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.