CID 1133114

83558-09-2

Structural Information

Molecular Formula
C11H8ClFN2OS
SMILES
C1=CC(=CC=C1C2=CSC(=N2)NC(=O)CCl)F
InChI
InChI=1S/C11H8ClFN2OS/c12-5-10(16)15-11-14-9(6-17-11)7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,14,15,16)
InChIKey
WZAPOTONSHTHMJ-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.003 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.01028 154.5
[M+Na]+ 292.99222 164.6
[M-H]- 268.99572 159.5
[M+NH4]+ 288.03682 172.7
[M+K]+ 308.96616 158.8
[M+H-H2O]+ 253.00026 147.3
[M+HCOO]- 315.00120 169.1
[M+CH3COO]- 329.01685 194.1
[M+Na-2H]- 290.97767 155.4
[M]+ 270.00245 157.3
[M]- 270.00355 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.