CID 14111600

1,2-bis(bromomethyl)-3-fluorobenzene

Structural Information

Molecular Formula
C8H7Br2F
SMILES
C1=CC(=C(C(=C1)F)CBr)CBr
InChI
InChI=1S/C8H7Br2F/c9-4-6-2-1-3-8(11)7(6)5-10/h1-3H,4-5H2
InChIKey
RFGAFUSDCBRIFT-UHFFFAOYSA-N
Compound name
1,2-bis(bromomethyl)-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

279.88986 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.89714 138.1
[M+Na]+ 302.87908 149.8
[M-H]- 278.88258 144.2
[M+NH4]+ 297.92368 158.2
[M+K]+ 318.85302 134.2
[M+H-H2O]+ 262.88712 146.0
[M+HCOO]- 324.88806 154.2
[M+CH3COO]- 338.90371 201.5
[M+Na-2H]- 300.86453 145.4
[M]+ 279.88931 171.3
[M]- 279.89041 171.3
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