CID 2735537

2-bromo-3-(bromomethyl)thiophene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

253.84006 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.847336 122.7
[M+Na]+ 276.829278 136.5
[M-H]- 252.832784 130.7
[M+NH4]+ 271.873883 145.9
[M+K]+ 292.803218 121.1
[M+H-H2O]+ 236.837320 132.1
[M+HCOO]- 298.838261 137.5
[M+CH3COO]- 312.853911 194.9
[M+Na-2H]- 274.814726 129.2
[M]+ 253.83951142 158.2
[M]- 253.84060858 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe