CID 5708383

1-bromo-3,3,3-trifluoroprop-1-ene

Structural Information

Molecular Formula
C3H2BrF3
SMILES
C(=C/Br)\C(F)(F)F
InChI
InChI=1S/C3H2BrF3/c4-2-1-3(5,6)7/h1-2H/b2-1+
InChIKey
XRZHWZVROHBBAM-OWOJBTEDSA-N
Compound name
(E)-1-bromo-3,3,3-trifluoroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

369
Patents

173.9292 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.93648 126.1
[M+Na]+ 196.91842 139.0
[M-H]- 172.92192 126.2
[M+NH4]+ 191.96302 150.0
[M+K]+ 212.89236 128.4
[M+H-H2O]+ 156.92646 125.7
[M+HCOO]- 218.92740 144.1
[M+CH3COO]- 232.94305 175.7
[M+Na-2H]- 194.90387 134.4
[M]+ 173.92865 139.8
[M]- 173.92975 139.8
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