CID 125483995

2-(nonafluorobutyl)-1h-indene

Structural Information

Molecular Formula
C13H7F9
SMILES
C1C2=CC=CC=C2C=C1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H7F9/c14-10(15,11(16,17)12(18,19)13(20,21)22)9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2
InChIKey
QNHWEZZPPUDLOF-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-indene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

334.0404 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.04768 166.4
[M+Na]+ 357.02962 176.6
[M-H]- 333.03312 160.2
[M+NH4]+ 352.07422 182.5
[M+K]+ 373.00356 171.2
[M+H-H2O]+ 317.03766 154.7
[M+HCOO]- 379.03860 174.0
[M+CH3COO]- 393.05425 208.9
[M+Na-2H]- 355.01507 170.4
[M]+ 334.03985 154.0
[M]- 334.04095 154.0
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