CID 2775671

166964-31-4

Structural Information

Molecular Formula
C9H6ClF3N2O2S2
SMILES
CN1C(=CC(=N1)C2=CC=C(S2)S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C9H6ClF3N2O2S2/c1-15-7(9(11,12)13)4-5(14-15)6-2-3-8(18-6)19(10,16)17/h2-4H,1H3
InChIKey
BWVNHXIGDZASCP-UHFFFAOYSA-N
Compound name
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

329.95114 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.95842 173.3
[M+Na]+ 352.94036 181.5
[M+NH4]+ 347.98496 177.9
[M+K]+ 368.91430 176.9
[M-H]- 328.94386 169.5
[M+Na-2H]- 350.92581 175.2
[M]+ 329.95059 174.1
[M]- 329.95169 174.1
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