CID 25213123

1111733-03-9

Structural Information

Molecular Formula
C8H6BF3N
SMILES
[B-](C1=CC2=C(C=C1)NC=C2)(F)(F)F
InChI
InChI=1S/C8H6BF3N/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-5,13H/q-1
InChIKey
DTKSICUEMLTQRS-UHFFFAOYSA-N
Compound name
trifluoro(1H-indol-5-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.05453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06181 132.8
[M+Na]+ 207.04375 142.7
[M+NH4]+ 202.08835 139.0
[M+K]+ 223.01769 139.6
[M-H]- 183.04725 129.4
[M+Na-2H]- 205.02920 137.1
[M]+ 184.05398 132.7
[M]- 184.05508 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.