CID 12040583

353272-53-4

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
2
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 169.7
[M+Na]+ 360.94332 183.2
[M-H]- 336.94682 168.2
[M+NH4]+ 355.98792 187.3
[M+K]+ 376.91726 170.3
[M+H-H2O]+ 320.95136 165.1
[M+HCOO]- 382.95230 179.6
[M+CH3COO]- 396.96795 205.6
[M+Na-2H]- 358.92877 173.7
[M]+ 337.95355 178.4
[M]- 337.95465 178.4
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