CID 59207567

1,2-bis(bromomethyl)-4,5-difluorobenzene

Structural Information

Molecular Formula
C8H6Br2F2
SMILES
C1=C(C(=CC(=C1F)F)CBr)CBr
InChI
InChI=1S/C8H6Br2F2/c9-3-5-1-7(11)8(12)2-6(5)4-10/h1-2H,3-4H2
InChIKey
QCQHUMBPYQAMGI-UHFFFAOYSA-N
Compound name
1,2-bis(bromomethyl)-4,5-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

297.88043 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.88771 142.0
[M+Na]+ 320.86965 154.3
[M-H]- 296.87315 147.2
[M+NH4]+ 315.91425 161.6
[M+K]+ 336.84359 138.3
[M+H-H2O]+ 280.87769 149.1
[M+HCOO]- 342.87863 157.1
[M+CH3COO]- 356.89428 204.4
[M+Na-2H]- 318.85510 148.0
[M]+ 297.87988 174.4
[M]- 297.88098 174.4
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