CID 136221

378-13-2

Structural Information

Molecular Formula
C4H4Br2ClF3
SMILES
C(CBr)C(C(F)(F)Br)(F)Cl
InChI
InChI=1S/C4H4Br2ClF3/c5-2-1-3(7,8)4(6,9)10/h1-2H2
InChIKey
RJOGGYLEOPNVJV-UHFFFAOYSA-N
Compound name
1,4-dibromo-2-chloro-1,1,2-trifluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

301.83203 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.83931 148.4
[M+Na]+ 324.82125 161.2
[M-H]- 300.82475 150.0
[M+NH4]+ 319.86585 168.2
[M+K]+ 340.79519 143.4
[M+H-H2O]+ 284.82929 155.9
[M+HCOO]- 346.83023 156.4
[M+CH3COO]- 360.84588 202.2
[M+Na-2H]- 322.80670 155.2
[M]+ 301.83148 179.6
[M]- 301.83258 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe