CID 12040587

2-bromo-1,3-dichloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene

Structural Information

Molecular Formula
C9H2BrCl2F7
SMILES
C1=C(C=C(C(=C1Cl)Br)Cl)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C9H2BrCl2F7/c10-6-4(11)1-3(2-5(6)12)7(13,8(14,15)16)9(17,18)19/h1-2H
InChIKey
HBRUVQJOQUCHMD-UHFFFAOYSA-N
Compound name
2-bromo-1,3-dichloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

391.86053 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.86781 169.5
[M+Na]+ 414.84975 185.6
[M-H]- 390.85325 168.0
[M+NH4]+ 409.89435 186.7
[M+K]+ 430.82369 169.6
[M+H-H2O]+ 374.85779 166.3
[M+HCOO]- 436.85873 171.1
[M+CH3COO]- 450.87438 211.2
[M+Na-2H]- 412.83520 173.0
[M]+ 391.85998 181.3
[M]- 391.86108 181.3
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

patents stripe