CID 2723682

134332-29-9

Structural Information

Molecular Formula
C7H5Br2F
SMILES
CC1=CC(=C(C=C1Br)F)Br
InChI
InChI=1S/C7H5Br2F/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3
InChIKey
CAJWWHAZRJAYKR-UHFFFAOYSA-N
Compound name
1,4-dibromo-2-fluoro-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

265.8742 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.88148 133.1
[M+Na]+ 288.86342 145.8
[M-H]- 264.86692 139.6
[M+NH4]+ 283.90802 153.8
[M+K]+ 304.83736 130.4
[M+H-H2O]+ 248.87146 141.2
[M+HCOO]- 310.87240 149.4
[M+CH3COO]- 324.88805 200.1
[M+Na-2H]- 286.84887 140.4
[M]+ 265.87365 166.2
[M]- 265.87475 166.2
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