CID 2773404

68318-95-6

Structural Information

Molecular Formula
C4H2BrF5
SMILES
C=C(C(C(F)(F)F)(F)F)Br
InChI
InChI=1S/C4H2BrF5/c1-2(5)3(6,7)4(8,9)10/h1H2
InChIKey
AAYAPGNGKQASNS-UHFFFAOYSA-N
Compound name
2-bromo-3,3,4,4,4-pentafluorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

223.926 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.93328 138.9
[M+Na]+ 246.91522 151.5
[M-H]- 222.91872 136.5
[M+NH4]+ 241.95982 160.5
[M+K]+ 262.88916 140.4
[M+H-H2O]+ 206.92326 136.8
[M+HCOO]- 268.92420 152.1
[M+CH3COO]- 282.93985 185.8
[M+Na-2H]- 244.90067 144.5
[M]+ 223.92545 149.0
[M]- 223.92655 149.0
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