CID 71329814

2-bromo-3-(bromomethyl)-4,4,5,5,6,6,6-heptafluorohexan-3-ol

Structural Information

Molecular Formula
C7H7Br2F7O
SMILES
CC(C(CBr)(C(C(C(F)(F)F)(F)F)(F)F)O)Br
InChI
InChI=1S/C7H7Br2F7O/c1-3(9)4(17,2-8)5(10,11)6(12,13)7(14,15)16/h3,17H,2H2,1H3
InChIKey
BMHLOJFRGFOQEG-UHFFFAOYSA-N
Compound name
2-bromo-3-(bromomethyl)-4,4,5,5,6,6,6-heptafluorohexan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

397.87518 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.88246 182.3
[M+Na]+ 420.86440 192.6
[M-H]- 396.86790 178.5
[M+NH4]+ 415.90900 196.9
[M+K]+ 436.83834 175.5
[M+H-H2O]+ 380.87244 185.7
[M+HCOO]- 442.87338 185.2
[M+CH3COO]- 456.88903 215.1
[M+Na-2H]- 418.84985 184.4
[M]+ 397.87463 205.3
[M]- 397.87573 205.3
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

No patent data available for this compound.