CID 14430811

2,3-dibromo-4-methylthiophene

Structural Information

Molecular Formula
C5H4Br2S
SMILES
CC1=CSC(=C1Br)Br
InChI
InChI=1S/C5H4Br2S/c1-3-2-8-5(7)4(3)6/h2H,1H3
InChIKey
WBYLRMUZATVKLP-UHFFFAOYSA-N
Compound name
2,3-dibromo-4-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

253.84006 Da
Monoisotopic Mass

3.7
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

No literature data available for this compound.

Patent stripe

patents stripe