CID 15345559

178975-20-7

Structural Information

Molecular Formula
C17H12F3N3O2S2
SMILES
C1C2=C(C3=CC=CC=C3S1)N(N=C2C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C17H12F3N3O2S2/c18-17(19,20)16-13-9-26-14-4-2-1-3-12(14)15(13)23(22-16)10-5-7-11(8-6-10)27(21,24)25/h1-8H,9H2,(H2,21,24,25)
InChIKey
ACFQQDXFCVFBIX-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)-4H-thiochromeno[4,3-c]pyrazol-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

411.03232 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.03960 188.6
[M+Na]+ 434.02154 199.9
[M-H]- 410.02504 190.3
[M+NH4]+ 429.06614 200.9
[M+K]+ 449.99548 192.0
[M+H-H2O]+ 394.02958 180.0
[M+HCOO]- 456.03052 193.3
[M+CH3COO]- 470.04617 197.2
[M+Na-2H]- 432.00699 191.9
[M]+ 411.03177 188.2
[M]- 411.03287 188.2
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

patents stripe