CID 91884023

1,3-bis(bromomethyl)-5-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C9H7Br2F3
SMILES
C1=C(C=C(C=C1CBr)C(F)(F)F)CBr
InChI
InChI=1S/C9H7Br2F3/c10-4-6-1-7(5-11)3-8(2-6)9(12,13)14/h1-3H,4-5H2
InChIKey
CMBMHSJAXXBWOL-UHFFFAOYSA-N
Compound name
1,3-bis(bromomethyl)-5-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.88666 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.89394 166.2
[M+Na]+ 352.87588 161.0
[M+NH4]+ 347.92048 167.1
[M+K]+ 368.84982 165.5
[M-H]- 328.87938 164.5
[M+Na-2H]- 350.86133 165.9
[M]+ 329.88611 163.9
[M]- 329.88721 163.9
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

No patent data available for this compound.