CID 21572586

384-04-3

Structural Information

Molecular Formula
C5F8
SMILES
C(=C(F)F)(C(=C(F)F)F)C(F)(F)F
InChI
InChI=1S/C5F8/c6-2(4(9)10)1(3(7)8)5(11,12)13
InChIKey
GHWUXRFRFCNVJI-UHFFFAOYSA-N
Compound name
1,1,2,4,4-pentafluoro-3-(trifluoromethyl)buta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

211.98723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99451 131.2
[M+Na]+ 234.97645 139.5
[M-H]- 210.97995 121.6
[M+NH4]+ 230.02105 149.1
[M+K]+ 250.95039 137.2
[M+H-H2O]+ 194.98449 120.6
[M+HCOO]- 256.98543 141.7
[M+CH3COO]- 271.00108 187.4
[M+Na-2H]- 232.96190 129.9
[M]+ 211.98668 116.9
[M]- 211.98778 116.9
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