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

10
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

No literature data available for this compound.

Patent stripe

patents stripe