CID 71812680

(triphenylphosphonio)difluoroacetate

Structural Information

Molecular Formula
C20H16F2O2P
SMILES
C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C(C(=O)O)(F)F
InChI
InChI=1S/C20H15F2O2P/c21-20(22,19(23)24)25(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H/p+1
InChIKey
STIBMNDFQNRAQX-UHFFFAOYSA-O
Compound name
[carboxy(difluoro)methyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

357.0856 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09288 187.5
[M+Na]+ 380.07482 191.9
[M-H]- 356.07832 191.6
[M+NH4]+ 375.11942 198.2
[M+K]+ 396.04876 180.9
[M+H-H2O]+ 340.08286 177.3
[M+HCOO]- 402.08380 208.0
[M+CH3COO]- 416.09945 203.7
[M+Na-2H]- 378.06027 191.7
[M]+ 357.08505 181.8
[M]- 357.08615 181.8
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

patents stripe