CID 2774900

Heptafluorobutanoyl bromide

Structural Information

Molecular Formula
C4BrF7O
SMILES
C(=O)(C(C(C(F)(F)F)(F)F)(F)F)Br
InChI
InChI=1S/C4BrF7O/c5-1(13)2(6,7)3(8,9)4(10,11)12
InChIKey
PJYLUIOQPJDGIG-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutanoyl bromide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

275.90207 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.90935 149.7
[M+Na]+ 298.89129 162.6
[M-H]- 274.89479 145.1
[M+NH4]+ 293.93589 168.9
[M+K]+ 314.86523 151.5
[M+H-H2O]+ 258.89933 146.0
[M+HCOO]- 320.90027 159.5
[M+CH3COO]- 334.91592 193.6
[M+Na-2H]- 296.87674 154.7
[M]+ 275.90152 157.5
[M]- 275.90262 157.5
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