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 127.7
[M+Na]+ 207.04375 138.1
[M-H]- 183.04725 124.8
[M+NH4]+ 202.08835 148.1
[M+K]+ 223.01769 133.6
[M+H-H2O]+ 167.05179 122.3
[M+HCOO]- 229.05273 146.3
[M+CH3COO]- 243.06838 174.6
[M+Na-2H]- 205.02920 134.9
[M]+ 184.05398 121.3
[M]- 184.05508 121.3
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.