CID 165979046

2,4-dibromo-5-(difluoromethyl)-3-methylthiophene

Structural Information

Molecular Formula
C6H4Br2F2S
SMILES
CC1=C(SC(=C1Br)C(F)F)Br
InChI
InChI=1S/C6H4Br2F2S/c1-2-3(7)4(6(9)10)11-5(2)8/h6H,1H3
InChIKey
RLCMRJXNRDHYEL-UHFFFAOYSA-N
Compound name
2,4-dibromo-5-(difluoromethyl)-3-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.83685 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.84413 134.4
[M+Na]+ 326.82607 148.6
[M-H]- 302.82957 140.6
[M+NH4]+ 321.87067 156.2
[M+K]+ 342.80001 132.5
[M+H-H2O]+ 286.83411 142.2
[M+HCOO]- 348.83505 146.3
[M+CH3COO]- 362.85070 203.5
[M+Na-2H]- 324.81152 137.3
[M]+ 303.83630 168.3
[M]- 303.83740 168.3
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

No patent data available for this compound.