CID 155858670

2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene

Structural Information

Molecular Formula
C7H6BrF3S
SMILES
CC1=C(SC(=C1)C(F)(F)F)CBr
InChI
InChI=1S/C7H6BrF3S/c1-4-2-6(7(9,10)11)12-5(4)3-8/h2H,3H2,1H3
InChIKey
GGEGBZMZCJMDEV-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.93256 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.93984 141.1
[M+Na]+ 280.92178 155.8
[M-H]- 256.92528 144.9
[M+NH4]+ 275.96638 164.7
[M+K]+ 296.89572 143.7
[M+H-H2O]+ 240.92982 140.3
[M+HCOO]- 302.93076 155.3
[M+CH3COO]- 316.94641 189.7
[M+Na-2H]- 278.90723 143.8
[M]+ 257.93201 158.6
[M]- 257.93311 158.6
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.