CID 12691328

79851-20-0

Structural Information

Molecular Formula
C10H3Br2F7O
SMILES
C1=C(C=C(C=C1Br)Br)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H3Br2F7O/c11-5-1-4(2-6(12)3-5)7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey
WYVCRFJVDBZRMR-UHFFFAOYSA-N
Compound name
1-(3,5-dibromophenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

429.8439 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.85118 183.5
[M+Na]+ 452.83312 195.2
[M-H]- 428.83662 183.5
[M+NH4]+ 447.87772 198.0
[M+K]+ 468.80706 178.0
[M+H-H2O]+ 412.84116 186.9
[M+HCOO]- 474.84210 189.4
[M+CH3COO]- 488.85775 220.7
[M+Na-2H]- 450.81857 185.3
[M]+ 429.84335 208.5
[M]- 429.84445 208.5
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

No patent data available for this compound.