CID 146049692

1795770-78-3

Structural Information

Molecular Formula
C6H9BF3O2
SMILES
[B-](/C(=C/C(=O)OCC)/C)(F)(F)F
InChI
InChI=1S/C6H9BF3O2/c1-3-12-6(11)4-5(2)7(8,9)10/h4H,3H2,1-2H3/q-1/b5-4+
InChIKey
FSIGYDUUSCGQNN-SNAWJCMRSA-N
Compound name
[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.06477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07205 132.3
[M+Na]+ 204.05399 139.7
[M-H]- 180.05749 127.1
[M+NH4]+ 199.09859 151.8
[M+K]+ 220.02793 139.1
[M+H-H2O]+ 164.06203 128.1
[M+HCOO]- 226.06297 149.6
[M+CH3COO]- 240.07862 177.6
[M+Na-2H]- 202.03944 134.7
[M]+ 181.06422 127.5
[M]- 181.06532 127.5
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.