CID 69623

Halopropane

Structural Information

Molecular Formula
C3H3BrF4
SMILES
C(C(C(F)F)(F)F)Br
InChI
InChI=1S/C3H3BrF4/c4-1-3(7,8)2(5)6/h2H,1H2
InChIKey
YVWGMAFXEJHFRO-UHFFFAOYSA-N
Compound name
3-bromo-1,1,2,2-tetrafluoropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

741
Patents

193.93542 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.94270 131.9
[M+Na]+ 216.92464 144.1
[M-H]- 192.92814 130.5
[M+NH4]+ 211.96924 154.7
[M+K]+ 232.89858 133.8
[M+H-H2O]+ 176.93268 130.3
[M+HCOO]- 238.93362 147.6
[M+CH3COO]- 252.94927 181.4
[M+Na-2H]- 214.91009 138.1
[M]+ 193.93487 144.3
[M]- 193.93597 144.3
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