CID 299430

102128-87-0

Structural Information

Molecular Formula
C7H6BrF6NO
SMILES
C=C(CNC(=O)C(C(F)(F)F)C(F)(F)F)Br
InChI
InChI=1S/C7H6BrF6NO/c1-3(8)2-15-5(16)4(6(9,10)11)7(12,13)14/h4H,1-2H2,(H,15,16)
InChIKey
JJCKTWSLTCPDNE-UHFFFAOYSA-N
Compound name
N-(2-bromoprop-2-enyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.9537 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.96098 161.6
[M+Na]+ 335.94292 171.9
[M-H]- 311.94642 157.3
[M+NH4]+ 330.98752 179.1
[M+K]+ 351.91686 160.0
[M+H-H2O]+ 295.95096 157.0
[M+HCOO]- 357.95190 172.1
[M+CH3COO]- 371.96755 202.3
[M+Na-2H]- 333.92837 162.8
[M]+ 312.95315 169.7
[M]- 312.95425 169.7
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.