CID 155943526

3-bromo-2-iodo-5-(trifluoromethyl)thiophene

Structural Information

Molecular Formula
C5HBrF3IS
SMILES
C1=C(SC(=C1Br)I)C(F)(F)F
InChI
InChI=1S/C5HBrF3IS/c6-2-1-3(5(7,8)9)11-4(2)10/h1H
InChIKey
BIVZBBRBNASNAM-UHFFFAOYSA-N
Compound name
3-bromo-2-iodo-5-(trifluoromethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.7979 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.80518 143.1
[M+Na]+ 378.78712 151.4
[M-H]- 354.79062 140.6
[M+NH4]+ 373.83172 162.1
[M+K]+ 394.76106 145.5
[M+H-H2O]+ 338.79516 138.9
[M+HCOO]- 400.79610 153.4
[M+CH3COO]- 414.81175 194.6
[M+Na-2H]- 376.77257 135.5
[M]+ 355.79735 156.7
[M]- 355.79845 156.7
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.