CID 49834930

1239370-98-9

Structural Information

Molecular Formula
C4H2BBrF3S
SMILES
[B-](C1=CC=C(S1)Br)(F)(F)F
InChI
InChI=1S/C4H2BBrF3S/c6-4-2-1-3(10-4)5(7,8)9/h1-2H/q-1
InChIKey
ZNHKLJNMECWWBD-UHFFFAOYSA-N
Compound name
(5-bromothiophen-2-yl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.91057 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.91785 131.6
[M+Na]+ 251.89979 145.8
[M-H]- 227.90329 133.8
[M+NH4]+ 246.94439 155.4
[M+K]+ 267.87373 134.4
[M+H-H2O]+ 211.90783 133.1
[M+HCOO]- 273.90877 146.0
[M+CH3COO]- 287.92442 180.5
[M+Na-2H]- 249.88524 135.1
[M]+ 228.91002 146.0
[M]- 228.91112 146.0
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.