CID 67819

375-88-2

Structural Information

Molecular Formula
C7BrF15
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)Br)(F)F)(F)F)(F)F
InChI
InChI=1S/C7BrF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23
InChIKey
VPQQZKWYZYVTMU-UHFFFAOYSA-N
Compound name
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

279
Patents

447.89438 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.90166 198.0
[M+Na]+ 470.88360 210.7
[M-H]- 446.88710 186.2
[M+NH4]+ 465.92820 209.5
[M+K]+ 486.85754 198.5
[M+H-H2O]+ 430.89164 188.8
[M+HCOO]- 492.89258 194.2
[M+CH3COO]- 506.90823 224.4
[M+Na-2H]- 468.86905 200.1
[M]+ 447.89383 191.0
[M]- 447.89493 191.0
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