CID 91667293

1590389-14-2

Structural Information

Molecular Formula
C7H4BF4O
SMILES
[B-](C(=O)C1=CC=C(C=C1)F)(F)(F)F
InChI
InChI=1S/C7H4BF4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H/q-1
InChIKey
RRWUJDMCZISZKX-UHFFFAOYSA-N
Compound name
trifluoro-(4-fluorobenzoyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.02913 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.03641 127.8
[M+Na]+ 214.01835 136.8
[M-H]- 190.02185 125.0
[M+NH4]+ 209.06295 146.7
[M+K]+ 229.99229 134.3
[M+H-H2O]+ 174.02639 121.9
[M+HCOO]- 236.02733 145.8
[M+CH3COO]- 250.04298 179.4
[M+Na-2H]- 212.00380 132.3
[M]+ 191.02858 120.2
[M]- 191.02968 120.2
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

No patent data available for this compound.