CID 34382

Trichloroheptafluorobutane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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

No literature data available for this compound.

Patent stripe

patents stripe