CID 12040583

1-bromo-2-methyl-4-(heptafluoropropan-2-yl)benzene

Structural Information

Molecular Formula
C10H6BrF7
SMILES
CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)Br
InChI
InChI=1S/C10H6BrF7/c1-5-4-6(2-3-7(5)11)8(12,9(13,14)15)10(16,17)18/h2-4H,1H3
InChIKey
GLWMETZJHQNWOV-UHFFFAOYSA-N
Compound name
1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

337.9541 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.96138 188.0
[M+Na]+ 360.94332 187.2
[M+NH4]+ 355.98792 187.7
[M+K]+ 376.91726 185.9
[M-H]- 336.94682 181.2
[M+Na-2H]- 358.92877 185.6
[M]+ 337.95355 185.1
[M]- 337.95465 185.1
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