CID 626637

4-bromo-2,3,5,6-tetrafluorobenzotrifluoride

Structural Information

Molecular Formula
C7BrF7
SMILES
C1(=C(C(=C(C(=C1F)F)Br)F)F)C(F)(F)F
InChI
InChI=1S/C7BrF7/c8-2-5(11)3(9)1(7(13,14)15)4(10)6(2)12
InChIKey
DONVNRFILRLHJB-UHFFFAOYSA-N
Compound name
1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

295.90717 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.91445 152.2
[M+Na]+ 318.89639 168.5
[M-H]- 294.89989 151.5
[M+NH4]+ 313.94099 172.0
[M+K]+ 334.87033 155.5
[M+H-H2O]+ 278.90443 147.7
[M+HCOO]- 340.90537 165.9
[M+CH3COO]- 354.92102 200.2
[M+Na-2H]- 316.88184 154.6
[M]+ 295.90662 162.3
[M]- 295.90772 162.3
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