CID 11829978

2-(bromomethyl)thiophene

Structural Information

Molecular Formula
C5H5BrS
SMILES
C1=CSC(=C1)CBr
InChI
InChI=1S/C5H5BrS/c6-4-5-2-1-3-7-5/h1-3H,4H2
InChIKey
QZOBOLDDGXPTBP-UHFFFAOYSA-N
Compound name
2-(bromomethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

742
Patents

175.92953 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.93681 121.9
[M+Na]+ 198.91875 135.6
[M-H]- 174.92225 129.2
[M+NH4]+ 193.96335 148.3
[M+K]+ 214.89269 125.1
[M+H-H2O]+ 158.92679 123.5
[M+HCOO]- 220.92773 141.3
[M+CH3COO]- 234.94338 174.8
[M+Na-2H]- 196.90420 128.2
[M]+ 175.92898 142.1
[M]- 175.93008 142.1
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