CID 83219

2,5-dibromo-3-methylthiophene

Structural Information

Molecular Formula
C5H4Br2S
SMILES
CC1=C(SC(=C1)Br)Br
InChI
InChI=1S/C5H4Br2S/c1-3-2-4(6)8-5(3)7/h2H,1H3
InChIKey
IHFXZROPBCBLLG-UHFFFAOYSA-N
Compound name
2,5-dibromo-3-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

253.84006 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.84734 121.9
[M+Na]+ 276.82928 136.3
[M-H]- 252.83278 130.2
[M+NH4]+ 271.87388 145.3
[M+K]+ 292.80322 120.9
[M+H-H2O]+ 236.83732 131.4
[M+HCOO]- 298.83826 136.6
[M+CH3COO]- 312.85391 195.7
[M+Na-2H]- 274.81473 127.9
[M]+ 253.83951 157.7
[M]- 253.84061 157.7
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