CID 101130687

660-53-7

Structural Information

Molecular Formula
C6H6BF3N
SMILES
[B-](NC1=CC=CC=C1)(F)(F)F
InChI
InChI=1S/C6H6BF3N/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5,11H/q-1
InChIKey
ORINOWIHYRYMHY-UHFFFAOYSA-N
Compound name
anilino(trifluoro)boranuide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

160.05453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.06181 122.8
[M+Na]+ 183.04375 130.3
[M-H]- 159.04725 120.9
[M+NH4]+ 178.08835 142.6
[M+K]+ 199.01769 128.0
[M+H-H2O]+ 143.05179 117.4
[M+HCOO]- 205.05273 143.8
[M+CH3COO]- 219.06838 175.1
[M+Na-2H]- 181.02920 130.5
[M]+ 160.05398 114.8
[M]- 160.05508 114.8
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.