CID 101641

1-chloroheptadecafluorooctane

Structural Information

Molecular Formula
C8ClF17
SMILES
C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8ClF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
InChIKey
SYVYTZLRTMPUCD-UHFFFAOYSA-N
Compound name
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

411
Patents

453.9417 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.94898 181.2
[M+Na]+ 476.93092 191.8
[M-H]- 452.93442 165.3
[M+NH4]+ 471.97552 165.6
[M+K]+ 492.90486 186.6
[M+H-H2O]+ 436.93896 166.3
[M+HCOO]- 498.93990 178.7
[M+CH3COO]- 512.95555 229.3
[M+Na-2H]- 474.91637 184.1
[M]+ 453.94115 156.4
[M]- 453.94225 156.4
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