CID 174004

1-bromo-1,1,2,2,3,3-hexafluoropropane

Structural Information

Molecular Formula
C3HBrF6
SMILES
C(C(C(F)(F)Br)(F)F)(F)F
InChI
InChI=1S/C3HBrF6/c4-3(9,10)2(7,8)1(5)6/h1H
InChIKey
PBGVNGZTQYKNIU-UHFFFAOYSA-N
Compound name
1-bromo-1,1,2,2,3,3-hexafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.91658 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.92386 139.9
[M+Na]+ 252.90580 152.5
[M-H]- 228.90930 136.3
[M+NH4]+ 247.95040 161.1
[M+K]+ 268.87974 141.8
[M+H-H2O]+ 212.91384 136.9
[M+HCOO]- 274.91478 152.1
[M+CH3COO]- 288.93043 187.4
[M+Na-2H]- 250.89125 145.2
[M]+ 229.91603 148.9
[M]- 229.91713 148.9
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