CID 18071327

1016515-74-4

Structural Information

Molecular Formula
C8H5ClF3N3O2S
SMILES
CC1=NN2C(=CC=NC2=C1S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C8H5ClF3N3O2S/c1-4-6(18(9,16)17)7-13-3-2-5(8(10,11)12)15(7)14-4/h2-3H,1H3
InChIKey
LCPUNKMOYWCIPO-UHFFFAOYSA-N
Compound name
2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.9743 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.98158 156.3
[M+Na]+ 321.96352 171.3
[M-H]- 297.96702 155.1
[M+NH4]+ 317.00812 172.6
[M+K]+ 337.93746 165.7
[M+H-H2O]+ 281.97156 148.4
[M+HCOO]- 343.97250 164.0
[M+CH3COO]- 357.98815 195.4
[M+Na-2H]- 319.94897 160.7
[M]+ 298.97375 160.6
[M]- 298.97485 160.6
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.