CID 394933

Nsc699033

Structural Information

Molecular Formula
C15H11F3NO4P
SMILES
C1=CC=C(C=C1)C(C(F)(F)F)(N)P2(=O)OC3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C15H11F3NO4P/c16-15(17,18)14(19,10-6-2-1-3-7-10)24(21)22-12-9-5-4-8-11(12)13(20)23-24/h1-9H,19H2
InChIKey
XANUINOEWNPJKP-UHFFFAOYSA-N
Compound name
2-(1-amino-2,2,2-trifluoro-1-phenylethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.03778 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.04506 180.8
[M+Na]+ 380.02700 189.1
[M-H]- 356.03050 184.2
[M+NH4]+ 375.07160 193.3
[M+K]+ 396.00094 187.7
[M+H-H2O]+ 340.03504 168.6
[M+HCOO]- 402.03598 199.8
[M+CH3COO]- 416.05163 212.2
[M+Na-2H]- 378.01245 186.4
[M]+ 357.03723 177.5
[M]- 357.03833 177.5
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.