CID 137941826

3,5-dibromo-2-(difluoromethyl)thiophene

Structural Information

Molecular Formula
C5H2Br2F2S
SMILES
C1=C(SC(=C1Br)C(F)F)Br
InChI
InChI=1S/C5H2Br2F2S/c6-2-1-3(7)10-4(2)5(8)9/h1,5H
InChIKey
QSAVVEROADFEQY-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-(difluoromethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.8212 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.82848 131.2
[M+Na]+ 312.81042 145.2
[M-H]- 288.81392 137.2
[M+NH4]+ 307.85502 153.2
[M+K]+ 328.78436 129.2
[M+H-H2O]+ 272.81846 139.1
[M+HCOO]- 334.81940 143.4
[M+CH3COO]- 348.83505 200.4
[M+Na-2H]- 310.79587 134.9
[M]+ 289.82065 164.6
[M]- 289.82175 164.6
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.