CID 3386645

166328-09-2

Structural Information

Molecular Formula
C8H3BF9
SMILES
[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(F)(F)F
InChI
InChI=1S/C8H3BF9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H/q-1
InChIKey
NPOZHFTWCZDUNR-UHFFFAOYSA-N
Compound name
[3,5-bis(trifluoromethyl)phenyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.0184 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.02568 175.1
[M+Na]+ 304.00762 177.4
[M+NH4]+ 299.05222 175.3
[M+K]+ 319.98156 174.7
[M-H]- 280.01112 168.3
[M+Na-2H]- 301.99307 173.8
[M]+ 281.01785 173.1
[M]- 281.01895 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe