CID 67639

1h,1h,7h-dodecafluoro-1-heptanol

Structural Information

Molecular Formula
C7H4F12O
SMILES
C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7H4F12O/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20/h2,20H,1H2
InChIKey
BYKNGMLDSIEFFG-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1500
Patents

332.00705 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.01433 158.2
[M+Na]+ 354.99627 166.8
[M-H]- 330.99977 143.6
[M+NH4]+ 350.04087 170.3
[M+K]+ 370.97021 163.9
[M+H-H2O]+ 315.00431 145.7
[M+HCOO]- 377.00525 159.0
[M+CH3COO]- 391.02090 208.1
[M+Na-2H]- 352.98172 160.3
[M]+ 332.00650 139.0
[M]- 332.00760 139.0
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