CID 165985529

2-(4-fluorophenyl)-1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C9H5ClFNO2S2
SMILES
C1=CC(=CC=C1C2=NC=C(S2)S(=O)(=O)Cl)F
InChI
InChI=1S/C9H5ClFNO2S2/c10-16(13,14)8-5-12-9(15-8)6-1-3-7(11)4-2-6/h1-5H
InChIKey
DSNMQISIGQDHEN-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1,3-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

276.94342 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.95070 153.5
[M+Na]+ 299.93264 166.1
[M-H]- 275.93614 159.0
[M+NH4]+ 294.97724 172.1
[M+K]+ 315.90658 159.8
[M+H-H2O]+ 259.94068 147.8
[M+HCOO]- 321.94162 162.2
[M+CH3COO]- 335.95727 189.6
[M+Na-2H]- 297.91809 154.6
[M]+ 276.94287 157.9
[M]- 276.94397 157.9
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

patents stripe