CID 68885965

1,3-dibromo-5-(bromomethyl)-2-fluorobenzene

Structural Information

Molecular Formula
C7H4Br3F
SMILES
C1=C(C=C(C(=C1Br)F)Br)CBr
InChI
InChI=1S/C7H4Br3F/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2
InChIKey
VIGJPLLOGSYVQF-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-(bromomethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

343.78473 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.79201 137.5
[M+Na]+ 366.77395 146.6
[M-H]- 342.77745 142.7
[M+NH4]+ 361.81855 153.1
[M+K]+ 382.74789 131.2
[M+H-H2O]+ 326.78199 152.3
[M+HCOO]- 388.78293 147.9
[M+CH3COO]- 402.79858 219.2
[M+Na-2H]- 364.75940 143.0
[M]+ 343.78418 177.7
[M]- 343.78528 177.7
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