CID 122373

3,5-dibromo-2-methylthiophene

Structural Information

Molecular Formula
C5H4Br2S
SMILES
CC1=C(C=C(S1)Br)Br
InChI
InChI=1S/C5H4Br2S/c1-3-4(6)2-5(7)8-3/h2H,1H3
InChIKey
OGAJGUIMFMRGRB-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-methylthiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

179
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

literature stripe

Patent stripe

patents stripe