CID 129962908

1-(bromomethyl)-3-chloro-2,4,5-trifluorobenzene

Structural Information

Molecular Formula
C7H3BrClF3
SMILES
C1=C(C(=C(C(=C1F)F)Cl)F)CBr
InChI
InChI=1S/C7H3BrClF3/c8-2-3-1-4(10)7(12)5(9)6(3)11/h1H,2H2
InChIKey
XSFSRMHDYJIPIB-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-chloro-2,4,5-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.90588 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.91316 138.9
[M+Na]+ 280.89510 154.9
[M-H]- 256.89860 142.4
[M+NH4]+ 275.93970 161.2
[M+K]+ 296.86904 141.1
[M+H-H2O]+ 240.90314 138.3
[M+HCOO]- 302.90408 154.1
[M+CH3COO]- 316.91973 192.0
[M+Na-2H]- 278.88055 144.2
[M]+ 257.90533 156.5
[M]- 257.90643 156.5
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

No patent data available for this compound.