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

11
Patents

253.84006 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.847336 121.9
[M+Na]+ 276.829278 136.3
[M-H]- 252.832784 130.2
[M+NH4]+ 271.873883 145.3
[M+K]+ 292.803218 120.9
[M+H-H2O]+ 236.837320 131.4
[M+HCOO]- 298.838261 136.6
[M+CH3COO]- 312.853911 195.7
[M+Na-2H]- 274.814726 127.9
[M]+ 253.83951142 157.7
[M]- 253.84060858 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