CID 2736340

2-bromo-1,1,1,2,3,3,3-heptafluoropropane

Structural Information

Molecular Formula
C3BrF7
SMILES
C(C(F)(F)F)(C(F)(F)F)(F)Br
InChI
InChI=1S/C3BrF7/c4-1(5,2(6,7)8)3(9,10)11
InChIKey
SULCAUVYSILBCB-UHFFFAOYSA-N
Compound name
2-bromo-1,1,1,2,3,3,3-heptafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

128
Patents

247.90717 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.91445 144.7
[M+Na]+ 270.89639 158.0
[M-H]- 246.89989 140.2
[M+NH4]+ 265.94099 165.2
[M+K]+ 286.87033 147.0
[M+H-H2O]+ 230.90443 141.3
[M+HCOO]- 292.90537 155.3
[M+CH3COO]- 306.92102 188.7
[M+Na-2H]- 268.88184 151.0
[M]+ 247.90662 152.0
[M]- 247.90772 152.0
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