CID 14472

1187-66-2

Structural Information

Molecular Formula
C4H5Br3FNO2
SMILES
C(C(=O)NC(C(Br)(Br)Br)O)F
InChI
InChI=1S/C4H5Br3FNO2/c5-4(6,7)3(11)9-2(10)1-8/h3,11H,1H2,(H,9,10)
InChIKey
QFWQUVMXKWLKQA-UHFFFAOYSA-N
Compound name
2-fluoro-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.78543 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.79271 149.9
[M+Na]+ 377.77465 156.7
[M-H]- 353.77815 151.7
[M+NH4]+ 372.81925 163.6
[M+K]+ 393.74859 139.9
[M+H-H2O]+ 337.78269 162.4
[M+HCOO]- 399.78363 157.3
[M+CH3COO]- 413.79928 218.3
[M+Na-2H]- 375.76010 153.3
[M]+ 354.78488 187.7
[M]- 354.78598 187.7
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.