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]+ 188.06148 130.7
[M+Na]+ 210.04342 138.3
[M-H]- 186.04692 128.7
[M+NH4]+ 205.08802 149.5
[M+K]+ 226.01736 135.9
[M+H-H2O]+ 170.05146 125.3
[M+HCOO]- 232.05240 149.4
[M+CH3COO]- 246.06805 178.4
[M+Na-2H]- 208.02887 135.8
[M]+ 187.05365 124.2
[M]- 187.05475 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