CID 137938108

3-bromo-5-(difluoromethyl)-2-methoxythiophene

Structural Information

Molecular Formula
C6H5BrF2OS
SMILES
COC1=C(C=C(S1)C(F)F)Br
InChI
InChI=1S/C6H5BrF2OS/c1-10-6-3(7)2-4(11-6)5(8)9/h2,5H,1H3
InChIKey
LISQTPMLZUFETH-UHFFFAOYSA-N
Compound name
3-bromo-5-(difluoromethyl)-2-methoxythiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.92125 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.92853 135.3
[M+Na]+ 264.91047 149.5
[M-H]- 240.91397 140.3
[M+NH4]+ 259.95507 159.3
[M+K]+ 280.88441 138.5
[M+H-H2O]+ 224.91851 134.9
[M+HCOO]- 286.91945 151.4
[M+CH3COO]- 300.93510 187.1
[M+Na-2H]- 262.89592 137.5
[M]+ 241.92070 155.0
[M]- 241.92180 155.0
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.