CID 71306587

898544-50-8

Structural Information

Molecular Formula
C7H6BF3N3
SMILES
[B-](C1=CC=C(C=C1)CN=[N+]=[N-])(F)(F)F
InChI
InChI=1S/C7H6BF3N3/c9-8(10,11)7-3-1-6(2-4-7)5-13-14-12/h1-4H,5H2/q-1
InChIKey
KHFFQKLOXSLLDO-UHFFFAOYSA-N
Compound name
[4-(azidomethyl)phenyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06796 130.0
[M+Na]+ 223.04990 139.8
[M+NH4]+ 218.09450 136.2
[M+K]+ 239.02384 136.8
[M-H]- 199.05340 130.3
[M+Na-2H]- 221.03535 136.1
[M]+ 200.06013 130.9
[M]- 200.06123 130.9
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.