CID 5104965

142421-57-6

Structural Information

Molecular Formula
C16H6ClF12P
SMILES
C1=C(C=C(C=C1C(F)(F)F)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl)C(F)(F)F
InChI
InChI=1S/C16H6ClF12P/c17-30(11-3-7(13(18,19)20)1-8(4-11)14(21,22)23)12-5-9(15(24,25)26)2-10(6-12)16(27,28)29/h1-6H
InChIKey
DFZQEHBNAJGDCT-UHFFFAOYSA-N
Compound name
bis[3,5-bis(trifluoromethyl)phenyl]-chlorophosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

491.9704 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.97768 201.1
[M+Na]+ 514.95962 213.2
[M-H]- 490.96312 193.3
[M+NH4]+ 510.00422 210.1
[M+K]+ 530.93356 204.5
[M+H-H2O]+ 474.96766 183.3
[M+HCOO]- 536.96860 205.1
[M+CH3COO]- 550.98425 236.0
[M+Na-2H]- 512.94507 196.7
[M]+ 491.96985 187.8
[M]- 491.97095 187.8
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

patents stripe