CID 121229188

4,5-dibromo-3-fluorothiophene-2-carbonitrile

Structural Information

Molecular Formula
C5Br2FNS
SMILES
C(#N)C1=C(C(=C(S1)Br)Br)F
InChI
InChI=1S/C5Br2FNS/c6-3-4(8)2(1-9)10-5(3)7
InChIKey
SVHWNYKSQSUYSW-UHFFFAOYSA-N
Compound name
4,5-dibromo-3-fluorothiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.8102 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.81748 120.0
[M+Na]+ 305.79942 136.5
[M-H]- 281.80292 125.0
[M+NH4]+ 300.84402 140.3
[M+K]+ 321.77336 120.5
[M+H-H2O]+ 265.80746 122.0
[M+HCOO]- 327.80840 135.2
[M+CH3COO]- 341.82405 208.6
[M+Na-2H]- 303.78487 125.4
[M]+ 282.80965 147.7
[M]- 282.81075 147.7
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.