CID 2778368

Refchem:430768

Structural Information

Molecular Formula
C8H5BrF4
SMILES
CC1=C(C(=C(C(=C1F)F)CBr)F)F
InChI
InChI=1S/C8H5BrF4/c1-3-5(10)7(12)4(2-9)8(13)6(3)11/h2H2,1H3
InChIKey
JGBVMYAEIPKDQB-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

255.95108 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.958356 143.0
[M+Na]+ 278.940298 158.4
[M-H]- 254.943804 145.6
[M+NH4]+ 273.984903 164.6
[M+K]+ 294.914238 146.0
[M+H-H2O]+ 238.948340 140.6
[M+HCOO]- 300.949281 161.1
[M+CH3COO]- 314.964931 195.0
[M+Na-2H]- 276.925746 146.6
[M]+ 255.95053142 158.0
[M]- 255.95162858 158.0
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