CID 2734935

3-bromo-4-methylthiophene

Structural Information

Molecular Formula
C5H5BrS
SMILES
CC1=CSC=C1Br
InChI
InChI=1S/C5H5BrS/c1-4-2-7-3-5(4)6/h2-3H,1H3
InChIKey
MBUSOPVRLCFJCS-UHFFFAOYSA-N
Compound name
3-bromo-4-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

798
Patents

175.92953 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.93681 120.5
[M+Na]+ 198.91875 123.7
[M+NH4]+ 193.96335 127.3
[M+K]+ 214.89269 123.4
[M-H]- 174.92225 121.8
[M+Na-2H]- 196.90420 124.3
[M]+ 175.92898 120.6
[M]- 175.93008 120.6
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