CID 2345510

379729-52-9

Structural Information

Molecular Formula
C16H12F3NO4S
SMILES
C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O)C(F)(F)F
InChI
InChI=1S/C16H12F3NO4S/c17-16(18,19)12-2-1-3-13(10-12)20-25(23,24)14-7-4-11(5-8-14)6-9-15(21)22/h1-10,20H,(H,21,22)/b9-6+
InChIKey
IZEATXHGLJMWIR-RMKNXTFCSA-N
Compound name
(E)-3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0439 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.05118 178.6
[M+Na]+ 394.03312 185.9
[M-H]- 370.03662 180.0
[M+NH4]+ 389.07772 189.7
[M+K]+ 410.00706 179.8
[M+H-H2O]+ 354.04116 168.7
[M+HCOO]- 416.04210 190.8
[M+CH3COO]- 430.05775 210.1
[M+Na-2H]- 392.01857 180.9
[M]+ 371.04335 176.4
[M]- 371.04445 176.4
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.