CID 2733690

654-53-5

Structural Information

Molecular Formula
C7HF7
SMILES
C1=C(C(=C(C(=C1F)F)F)F)C(F)(F)F
InChI
InChI=1S/C7HF7/c8-3-1-2(7(12,13)14)4(9)6(11)5(3)10/h1H
InChIKey
ZWVOHERGWLDGFT-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrafluoro-5-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

217.99664 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00392 132.5
[M+Na]+ 240.98586 145.3
[M-H]- 216.98936 128.6
[M+NH4]+ 236.03046 151.6
[M+K]+ 256.95980 141.3
[M+H-H2O]+ 200.99390 122.1
[M+HCOO]- 262.99484 148.4
[M+CH3COO]- 277.01049 189.8
[M+Na-2H]- 238.97131 135.4
[M]+ 217.99609 123.8
[M]- 217.99719 123.8
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