CID 53880807

3-(3-bromopropyl)thiophene

Structural Information

Molecular Formula
C7H9BrS
SMILES
C1=CSC=C1CCCBr
InChI
InChI=1S/C7H9BrS/c8-4-1-2-7-3-5-9-6-7/h3,5-6H,1-2,4H2
InChIKey
HJQLPZIKXZBQCK-UHFFFAOYSA-N
Compound name
3-(3-bromopropyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

203.96083 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.96811 131.0
[M+Na]+ 226.95005 143.8
[M-H]- 202.95355 137.9
[M+NH4]+ 221.99465 156.4
[M+K]+ 242.92399 132.8
[M+H-H2O]+ 186.95809 132.2
[M+HCOO]- 248.95903 149.7
[M+CH3COO]- 262.97468 180.4
[M+Na-2H]- 224.93550 136.2
[M]+ 203.96028 151.8
[M]- 203.96138 151.8
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