CID 566160

2-(2-bromoethyl)thiophene

Structural Information

Molecular Formula
C6H7BrS
SMILES
C1=CSC(=C1)CCBr
InChI
InChI=1S/C6H7BrS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4H2
InChIKey
JSELWWIIPRBECO-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

189.94518 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.95246 126.4
[M+Na]+ 212.93440 139.7
[M-H]- 188.93790 133.6
[M+NH4]+ 207.97900 152.3
[M+K]+ 228.90834 129.0
[M+H-H2O]+ 172.94244 127.8
[M+HCOO]- 234.94338 145.5
[M+CH3COO]- 248.95903 177.6
[M+Na-2H]- 210.91985 132.2
[M]+ 189.94463 146.9
[M]- 189.94573 146.9
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