CID 13814717

2-bromo-4-methylthiophene

Structural Information

Molecular Formula
C5H5BrS
SMILES
CC1=CSC(=C1)Br
InChI
InChI=1S/C5H5BrS/c1-4-2-5(6)7-3-4/h2-3H,1H3
InChIKey
WQCPSNAAWLHQAE-UHFFFAOYSA-N
Compound name
2-bromo-4-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

175.92953 Da
Monoisotopic Mass

3.0
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

No literature data available for this compound.

Patent stripe

patents stripe