CID 78977

2,2,3-trichloroheptafluorobutane

Structural Information

Molecular Formula
C4Cl3F7
SMILES
C(C(C(F)(F)F)(Cl)Cl)(C(F)(F)F)(F)Cl
InChI
InChI=1S/C4Cl3F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
InChIKey
ZPGMWBFCBUKITA-UHFFFAOYSA-N
Compound name
2,2,3-trichloro-1,1,1,3,4,4,4-heptafluorobutane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

381
Patents

285.8954 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.902676 138.7
[M+Na]+ 308.884618 149.5
[M-H]- 284.888124 130.2
[M+NH4]+ 303.929223 155.4
[M+K]+ 324.858558 143.6
[M+H-H2O]+ 268.892660 131.9
[M+HCOO]- 330.893601 135.5
[M+CH3COO]- 344.909251 195.8
[M+Na-2H]- 306.870066 143.9
[M]+ 285.89485142 131.0
[M]- 285.89594858 131.0
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