CID 132378812

3-[3-(difluoromethyl)-1-methyl-1h-thieno[2,3-c]pyrazole-5-amido]benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C14H10F3N3O3S2
SMILES
CN1C2=C(C=C(S2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)F)C(=N1)C(F)F
InChI
InChI=1S/C14H10F3N3O3S2/c1-20-14-9(11(19-20)12(15)16)6-10(24-14)13(21)18-7-3-2-4-8(5-7)25(17,22)23/h2-6,12H,1H3,(H,18,21)
InChIKey
GMCDJEKIMDSTRR-UHFFFAOYSA-N
Compound name
3-[[3-(difluoromethyl)-1-methylthieno[2,3-c]pyrazole-5-carbonyl]amino]benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.01157 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.01885 181.2
[M+Na]+ 412.00079 193.3
[M-H]- 388.00429 184.3
[M+NH4]+ 407.04539 195.7
[M+K]+ 427.97473 187.6
[M+H-H2O]+ 372.00883 173.4
[M+HCOO]- 434.00977 191.0
[M+CH3COO]- 448.02542 215.4
[M+Na-2H]- 409.98624 179.7
[M]+ 389.01102 185.5
[M]- 389.01212 185.5
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.