CID 85636182

2,4-dibromo-4,4-difluorobutan-1-ol

Structural Information

Molecular Formula
C4H6Br2F2O
SMILES
C(C(CO)Br)C(F)(F)Br
InChI
InChI=1S/C4H6Br2F2O/c5-3(2-9)1-4(6,7)8/h3,9H,1-2H2
InChIKey
ZQLMPCIDNLNBFK-UHFFFAOYSA-N
Compound name
2,4-dibromo-4,4-difluorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

265.87534 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.882616 141.6
[M+Na]+ 288.864558 152.1
[M-H]- 264.868064 142.7
[M+NH4]+ 283.909163 161.0
[M+K]+ 304.838498 136.2
[M+H-H2O]+ 248.872600 148.6
[M+HCOO]- 310.873541 153.3
[M+CH3COO]- 324.889191 196.8
[M+Na-2H]- 286.850006 147.4
[M]+ 265.87479142 172.0
[M]- 265.87588858 172.0
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