CID 101910807

Potassium trifluoro(4-methoxybenzoyl)borate

Structural Information

Molecular Formula
C8H7BF3O2
SMILES
[B-](C(=O)C1=CC=C(C=C1)OC)(F)(F)F
InChI
InChI=1S/C8H7BF3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5H,1H3/q-1
InChIKey
ZNRMDLYLQDVFFK-UHFFFAOYSA-N
Compound name
trifluoro-(4-methoxybenzoyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04912 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05640 133.4
[M+Na]+ 226.03834 141.9
[M-H]- 202.04184 131.8
[M+NH4]+ 221.08294 151.9
[M+K]+ 242.01228 140.1
[M+H-H2O]+ 186.04638 128.1
[M+HCOO]- 248.04732 152.4
[M+CH3COO]- 262.06297 181.5
[M+Na-2H]- 224.02379 138.1
[M]+ 203.04857 128.8
[M]- 203.04967 128.8
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.