CID 59306005

2,7-diamino-9,9-di-n-octylfluorene

Structural Information

Molecular Formula
C29H44N2
SMILES
CCCCCCCCC1(C2=C(C=CC(=C2)N)C3=C1C=C(C=C3)N)CCCCCCCC
InChI
InChI=1S/C29H44N2/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h15-18,21-22H,3-14,19-20,30-31H2,1-2H3
InChIKey
ODJBGRHFVFWTBO-UHFFFAOYSA-N
Compound name
9,9-dioctylfluorene-2,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

420.35046 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.35774 212.8
[M+Na]+ 443.33968 217.1
[M-H]- 419.34318 215.5
[M+NH4]+ 438.38428 228.5
[M+K]+ 459.31362 208.5
[M+H-H2O]+ 403.34772 204.5
[M+HCOO]- 465.34866 231.5
[M+CH3COO]- 479.36431 238.7
[M+Na-2H]- 441.32513 211.0
[M]+ 420.34991 216.2
[M]- 420.35101 216.2
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