CID 3618053

216434-82-1

Structural Information

Molecular Formula
C7H7BF3
SMILES
[B-](C1=CC=C(C=C1)C)(F)(F)F
InChI
InChI=1S/C7H7BF3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3/q-1
InChIKey
MCOWJKSIGLBIFF-UHFFFAOYSA-N
Compound name
trifluoro-(4-methylphenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.0593 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06658 131.9
[M+Na]+ 182.04852 142.0
[M+NH4]+ 177.09312 138.4
[M+K]+ 198.02246 137.0
[M-H]- 158.05202 129.4
[M+Na-2H]- 180.03397 136.8
[M]+ 159.05875 132.2
[M]- 159.05985 132.2
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.