CID 45479883

661465-45-8

Structural Information

Molecular Formula
C8H5BF3S
SMILES
[B-](C1=CC2=CC=CC=C2S1)(F)(F)F
InChI
InChI=1S/C8H5BF3S/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h1-5H/q-1
InChIKey
LZPXHRODUPXYPG-UHFFFAOYSA-N
Compound name
1-benzothiophen-2-yl(trifluoro)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

201.01572 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02300 130.3
[M+Na]+ 224.00494 141.5
[M-H]- 200.00844 130.4
[M+NH4]+ 219.04954 152.7
[M+K]+ 239.97888 137.4
[M+H-H2O]+ 184.01298 125.6
[M+HCOO]- 246.01392 146.7
[M+CH3COO]- 260.02957 178.8
[M+Na-2H]- 221.99039 134.5
[M]+ 201.01517 127.6
[M]- 201.01627 127.6
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.