CID 11974407

918824-12-1

Structural Information

Molecular Formula
C36H22BF14P
SMILES
[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)P(C4=C(C=C(C=C4C)C)C)C5=C(C=C(C=C5C)C)C)F)F
InChI
InChI=1S/C36H22BF14P/c1-11-7-13(3)34(14(4)8-11)52(35-15(5)9-12(2)10-16(35)6)36-32(50)24(42)19(25(43)33(36)51)37(17-20(38)26(44)30(48)27(45)21(17)39)18-22(40)28(46)31(49)29(47)23(18)41/h7-10H,1-6H3/q-1
InChIKey
KDUKOLNXDQLNER-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

762.1329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 763.14018 178.9
[M+Na]+ 785.12212 179.8
[M+NH4]+ 780.16672 178.3
[M+K]+ 801.09606 178.7
[M-H]- 761.12562 176.9
[M+Na-2H]- 783.10757 178.4
[M]+ 762.13235 178.3
[M]- 762.13345 178.3
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.