CID 21911210

486460-10-0

Structural Information

Molecular Formula
C7H4Br2F2
SMILES
C1=C(C(=CC(=C1F)Br)F)CBr
InChI
InChI=1S/C7H4Br2F2/c8-3-4-1-7(11)5(9)2-6(4)10/h1-2H,3H2
InChIKey
NIXLFBUHPJACST-UHFFFAOYSA-N
Compound name
1-bromo-4-(bromomethyl)-2,5-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

283.86478 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.872056 137.7
[M+Na]+ 306.853998 150.4
[M-H]- 282.857504 143.1
[M+NH4]+ 301.898603 157.8
[M+K]+ 322.827938 134.6
[M+H-H2O]+ 266.862040 145.0
[M+HCOO]- 328.862981 153.2
[M+CH3COO]- 342.878631 202.2
[M+Na-2H]- 304.839446 144.3
[M]+ 283.86423142 169.9
[M]- 283.86532858 169.9
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