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

0
Patents

265.87534 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.88262 141.6
[M+Na]+ 288.86456 152.1
[M-H]- 264.86806 142.7
[M+NH4]+ 283.90916 161.0
[M+K]+ 304.83850 136.2
[M+H-H2O]+ 248.87260 148.6
[M+HCOO]- 310.87354 153.3
[M+CH3COO]- 324.88919 196.8
[M+Na-2H]- 286.85001 147.4
[M]+ 265.87479 172.0
[M]- 265.87589 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

No patent data available for this compound.