CID 102627

1476-44-4

Structural Information

Molecular Formula
C4H3Br3F3NO2
SMILES
C(C(Br)(Br)Br)(NC(=O)C(F)(F)F)O
InChI
InChI=1S/C4H3Br3F3NO2/c5-3(6,7)1(12)11-2(13)4(8,9)10/h1,12H,(H,11,13)
InChIKey
YPRWUHITXSFUFV-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.7666 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.77388 162.7
[M+Na]+ 413.75582 169.7
[M-H]- 389.75932 163.2
[M+NH4]+ 408.80042 175.5
[M+K]+ 429.72976 152.5
[M+H-H2O]+ 373.76386 174.2
[M+HCOO]- 435.76480 167.9
[M+CH3COO]- 449.78045 221.1
[M+Na-2H]- 411.74127 164.9
[M]+ 390.76605 198.3
[M]- 390.76715 198.3
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.