CID 139598211

Rpa 205834

Structural Information

Molecular Formula
C15H14F3NO4S
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=C(C=N)C(=O)C2CC2)O
InChI
InChI=1S/C15H14F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-8,19,21H,2-3H2,1H3
InChIKey
COIALHJFXGEHAC-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-hydroxy-2-methanimidoyl-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

361.05957 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.06685 163.2
[M+Na]+ 384.04879 170.4
[M-H]- 360.05229 165.0
[M+NH4]+ 379.09339 170.2
[M+K]+ 400.02273 164.3
[M+H-H2O]+ 344.05683 154.6
[M+HCOO]- 406.05777 173.2
[M+CH3COO]- 420.07342 212.6
[M+Na-2H]- 382.03424 163.0
[M]+ 361.05902 162.8
[M]- 361.06012 162.8
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

No patent data available for this compound.