CID 103356

2,2-bis(3,4-dimethylphenyl)hexafluoropropane

Structural Information

Molecular Formula
C19H18F6
SMILES
CC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C)C)(C(F)(F)F)C(F)(F)F)C
InChI
InChI=1S/C19H18F6/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
InChIKey
GLFKFHJEFMLTOB-UHFFFAOYSA-N
Compound name
4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1062
Patents

360.13126 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13854 179.9
[M+Na]+ 383.12048 190.0
[M-H]- 359.12398 179.7
[M+NH4]+ 378.16508 193.3
[M+K]+ 399.09442 183.9
[M+H-H2O]+ 343.12852 168.3
[M+HCOO]- 405.12946 191.2
[M+CH3COO]- 419.14511 218.3
[M+Na-2H]- 381.10593 181.2
[M]+ 360.13071 173.3
[M]- 360.13181 173.3
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