CID 2736392

234443-24-4

Structural Information

Molecular Formula
C5H2BrF7
SMILES
C=C(C(C(F)(F)F)(C(F)(F)F)F)Br
InChI
InChI=1S/C5H2BrF7/c1-2(6)3(7,4(8,9)10)5(11,12)13/h1H2
InChIKey
ZWRZDAJOBBXUHV-UHFFFAOYSA-N
Compound name
2-bromo-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

82
Patents

273.92282 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.93010 151.7
[M+Na]+ 296.91204 164.4
[M-H]- 272.91554 147.0
[M+NH4]+ 291.95664 171.2
[M+K]+ 312.88598 152.7
[M+H-H2O]+ 256.92008 148.1
[M+HCOO]- 318.92102 161.0
[M+CH3COO]- 332.93667 194.0
[M+Na-2H]- 294.89749 156.1
[M]+ 273.92227 158.5
[M]- 273.92337 158.5
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