CID 49761752

1187951-61-6

Structural Information

Molecular Formula
C8H10BF3N
SMILES
[B-](C1=CC=C(C=C1)N(C)C)(F)(F)F
InChI
InChI=1S/C8H10BF3N/c1-13(2)8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3/q-1
InChIKey
QRNNFAIIFDDNNF-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)phenyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

188.08585 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.093126 132.0
[M+Na]+ 211.075068 139.9
[M-H]- 187.078574 131.7
[M+NH4]+ 206.119673 151.7
[M+K]+ 227.049008 138.5
[M+H-H2O]+ 171.083110 126.3
[M+HCOO]- 233.084051 152.8
[M+CH3COO]- 247.099701 185.9
[M+Na-2H]- 209.060516 137.2
[M]+ 188.08530142 126.4
[M]- 188.08639858 126.4
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.