CID 4678033

565165-72-2

Structural Information

Molecular Formula
C12H9ClF2N2OS
SMILES
CC(C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)F)F)Cl
InChI
InChI=1S/C12H9ClF2N2OS/c1-6(13)11(18)17-12-16-10(5-19-12)7-2-3-8(14)9(15)4-7/h2-6H,1H3,(H,16,17,18)
InChIKey
BLOXIDYZMHFRLV-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.00922 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.01650 160.5
[M+Na]+ 324.99844 170.6
[M-H]- 301.00194 164.4
[M+NH4]+ 320.04304 177.5
[M+K]+ 340.97238 164.7
[M+H-H2O]+ 285.00648 152.5
[M+HCOO]- 347.00742 172.6
[M+CH3COO]- 361.02307 201.8
[M+Na-2H]- 322.98389 158.8
[M]+ 302.00867 162.5
[M]- 302.00977 162.5
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.