CID 46311696

1,3-dibromo-2-(difluoromethyl)benzene

Structural Information

Molecular Formula
C7H4Br2F2
SMILES
C1=CC(=C(C(=C1)Br)C(F)F)Br
InChI
InChI=1S/C7H4Br2F2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H
InChIKey
UXNILIILGRHOPO-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-(difluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

283.86478 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.872056 139.7
[M+Na]+ 306.853998 151.5
[M-H]- 282.857504 144.9
[M+NH4]+ 301.898603 159.5
[M+K]+ 322.827938 136.0
[M+H-H2O]+ 266.862040 147.0
[M+HCOO]- 328.862981 154.4
[M+CH3COO]- 342.878631 201.9
[M+Na-2H]- 304.839446 145.7
[M]+ 283.86423142 171.1
[M]- 283.86532858 171.1
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