CID 20761243

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoroheptane

Structural Information

Molecular Formula
C7H3F13
SMILES
CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F13/c1-2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H3
InChIKey
HAEXYOGSVZCBSX-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoroheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

458
Patents

334.00272 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.01000 159.9
[M+Na]+ 356.99194 169.7
[M-H]- 332.99544 146.2
[M+NH4]+ 352.03654 172.6
[M+K]+ 372.96588 166.8
[M+H-H2O]+ 316.99998 146.9
[M+HCOO]- 379.00092 160.4
[M+CH3COO]- 393.01657 211.2
[M+Na-2H]- 354.97739 163.6
[M]+ 334.00217 139.6
[M]- 334.00327 139.6
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