CID 550386

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-ol

Structural Information

Molecular Formula
C7H3F13O
SMILES
C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7H3F13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h21H,1H2
InChIKey
STLNAVFVCIRZLL-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

47
References

402
Patents

349.99762 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.00490 162.9
[M+Na]+ 372.98684 172.1
[M-H]- 348.99034 147.8
[M+NH4]+ 368.03144 174.2
[M+K]+ 388.96078 168.9
[M+H-H2O]+ 332.99488 150.0
[M+HCOO]- 394.99582 162.2
[M+CH3COO]- 409.01147 210.5
[M+Na-2H]- 370.97229 166.5
[M]+ 349.99707 142.1
[M]- 349.99817 142.1
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