CID 71306589

898544-49-5

Structural Information

Molecular Formula
C7H6BF3N3
SMILES
[B-](C1=CC(=CC=C1)CN=[N+]=[N-])(F)(F)F
InChI
InChI=1S/C7H6BF3N3/c9-8(10,11)7-3-1-2-6(4-7)5-13-14-12/h1-4H,5H2/q-1
InChIKey
QRIYVLZCCDYHGY-UHFFFAOYSA-N
Compound name
[3-(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 132.8
[M+Na]+ 223.04990 140.3
[M-H]- 199.05340 133.7
[M+NH4]+ 218.09450 151.3
[M+K]+ 239.02384 133.7
[M+H-H2O]+ 183.05794 130.9
[M+HCOO]- 245.05888 158.8
[M+CH3COO]- 259.07453 185.5
[M+Na-2H]- 221.03535 142.4
[M]+ 200.06013 124.6
[M]- 200.06123 124.6
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.