CID 2773242

3,5-bis(trifluoromethyl)styrene

Structural Information

Molecular Formula
C10H6F6
SMILES
C=CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C10H6F6/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h2-5H,1H2
InChIKey
LFICVUCVPKKPFF-UHFFFAOYSA-N
Compound name
1-ethenyl-3,5-bis(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

541
Patents

240.03737 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04465 143.3
[M+Na]+ 263.02659 153.8
[M-H]- 239.03009 139.9
[M+NH4]+ 258.07119 161.2
[M+K]+ 279.00053 149.4
[M+H-H2O]+ 223.03463 133.5
[M+HCOO]- 285.03557 158.0
[M+CH3COO]- 299.05122 192.3
[M+Na-2H]- 261.01204 147.3
[M]+ 240.03682 134.9
[M]- 240.03792 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe