CID 70700253

1,2-dibromo-4-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H3Br2F3O
SMILES
C1=CC(=C(C=C1OC(F)(F)F)Br)Br
InChI
InChI=1S/C7H3Br2F3O/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H
InChIKey
TWWYCVQUIRYXRE-UHFFFAOYSA-N
Compound name
1,2-dibromo-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

317.85028 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.85756 148.6
[M+Na]+ 340.83950 160.9
[M-H]- 316.84300 152.8
[M+NH4]+ 335.88410 167.3
[M+K]+ 356.81344 145.2
[M+H-H2O]+ 300.84754 155.1
[M+HCOO]- 362.84848 162.1
[M+CH3COO]- 376.86413 204.7
[M+Na-2H]- 338.82495 155.0
[M]+ 317.84973 180.0
[M]- 317.85083 180.0
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