CID 78972

Perfluoroperhydrophenanthrene

Structural Information

Molecular Formula
C14F24
SMILES
C12(C3(C(C(C(C1(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)(C(C(C(C3(F)F)(F)F)(F)F)(F)F)F)F)F
InChI
InChI=1S/C14F24/c15-1-2(16)4(18,10(29,30)14(37,38)12(33,34)6(2,21)22)8(25,26)7(23,24)3(1,17)9(27,28)13(35,36)11(31,32)5(1,19)20
InChIKey
QKENRHXGDUPTEM-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,10,10,10a-tetracosafluorophenanthrene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

57
References

2961
Patents

623.9617 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.96898 171.4
[M+Na]+ 646.95092 194.0
[M-H]- 622.95442 162.7
[M+NH4]+ 641.99552 194.4
[M+K]+ 662.92486 188.8
[M+H-H2O]+ 606.95896 159.3
[M+HCOO]- 668.95990 166.4
[M+CH3COO]- 682.97555 253.4
[M+Na-2H]- 644.93637 174.6
[M]+ 623.96115 153.8
[M]- 623.96225 153.8
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