CID 44886959

850623-71-1

Structural Information

Molecular Formula
C6H4BF3NO2
SMILES
[B-](C1=CC=C(C=C1)[N+](=O)[O-])(F)(F)F
InChI
InChI=1S/C6H4BF3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H/q-1
InChIKey
BUQWATAYEJVHRD-UHFFFAOYSA-N
Compound name
trifluoro-(4-nitrophenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.02872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03600 129.0
[M+Na]+ 213.01794 138.9
[M+NH4]+ 208.06254 134.6
[M+K]+ 228.99188 137.7
[M-H]- 189.02144 127.0
[M+Na-2H]- 211.00339 133.5
[M]+ 190.02817 129.2
[M]- 190.02927 129.2
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.