CID 12874113

2-bromo-4-(bromomethyl)thiophene

Structural Information

Molecular Formula
C5H4Br2S
SMILES
C1=C(SC=C1CBr)Br
InChI
InChI=1S/C5H4Br2S/c6-2-4-1-5(7)8-3-4/h1,3H,2H2
InChIKey
RPMNNNOFOXOJSS-UHFFFAOYSA-N
Compound name
2-bromo-4-(bromomethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

253.84006 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.84734 130.9
[M+Na]+ 276.82928 125.9
[M+NH4]+ 271.87388 134.0
[M+K]+ 292.80322 132.3
[M-H]- 252.83278 131.9
[M+Na-2H]- 274.81473 132.9
[M]+ 253.83951 129.6
[M]- 253.84061 129.6
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

patents stripe