CID 22160290

Pentadecafluoroheptan-1-ol

Structural Information

Molecular Formula
C7HF15O
SMILES
C(C(C(C(O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7HF15O/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23/h23H
InChIKey
XCWMATKNFUWXCN-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

426
Patents

385.9788 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.98608 170.0
[M+Na]+ 408.96802 179.6
[M-H]- 384.97152 153.7
[M+NH4]+ 404.01262 150.5
[M+K]+ 424.94196 176.3
[M+H-H2O]+ 368.97606 156.2
[M+HCOO]- 430.97700 165.6
[M+CH3COO]- 444.99265 217.0
[M+Na-2H]- 406.95347 173.5
[M]+ 385.97825 145.6
[M]- 385.97935 145.6
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