CID 16211122

609816-23-1

Structural Information

Molecular Formula
C17H12F17N
SMILES
C1=CC(=CC=C1CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CN
InChI
InChI=1S/C17H12F17N/c18-10(19,6-5-8-1-3-9(7-35)4-2-8)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-4H,5-7,35H2
InChIKey
MNOIHTZEQBURKA-UHFFFAOYSA-N
Compound name
[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

41
Patents

553.0698 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.07708 216.0
[M+Na]+ 576.05902 224.1
[M-H]- 552.06252 201.2
[M+NH4]+ 571.10362 177.9
[M+K]+ 592.03296 218.2
[M+H-H2O]+ 536.06706 198.5
[M+HCOO]- 598.06800 192.6
[M+CH3COO]- 612.08365 249.3
[M+Na-2H]- 574.04447 216.3
[M]+ 553.06925 189.3
[M]- 553.07035 189.3
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

patents stripe