CID 15386015

4-bromo-2-(bromomethyl)thiophene

Structural Information

Molecular Formula
C5H4Br2S
SMILES
C1=C(SC=C1Br)CBr
InChI
InChI=1S/C5H4Br2S/c6-2-5-1-4(7)3-8-5/h1,3H,2H2
InChIKey
NANALAOSHGYIEJ-UHFFFAOYSA-N
Compound name
4-bromo-2-(bromomethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

253.84006 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.84734 122.7
[M+Na]+ 276.82928 136.5
[M-H]- 252.83278 130.7
[M+NH4]+ 271.87388 145.9
[M+K]+ 292.80322 121.1
[M+H-H2O]+ 236.83732 132.1
[M+HCOO]- 298.83826 137.5
[M+CH3COO]- 312.85391 194.9
[M+Na-2H]- 274.81473 129.2
[M]+ 253.83951 158.2
[M]- 253.84061 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