CID 46844439

1229039-50-2

Structural Information

Molecular Formula
C8H7BF3O
SMILES
[B-](C(=O)CC1=CC=CC=C1)(F)(F)F
InChI
InChI=1S/C8H7BF3O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5H,6H2/q-1
InChIKey
WGHBPOMFLYLYPI-UHFFFAOYSA-N
Compound name
trifluoro-(2-phenylacetyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.0542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.061476 130.7
[M+Na]+ 210.043418 138.3
[M-H]- 186.046924 128.7
[M+NH4]+ 205.088023 149.5
[M+K]+ 226.017358 135.9
[M+H-H2O]+ 170.051460 125.3
[M+HCOO]- 232.052401 149.4
[M+CH3COO]- 246.068051 178.4
[M+Na-2H]- 208.028866 135.8
[M]+ 187.05365142 124.2
[M]- 187.05474858 124.2
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

patents stripe