CID 129956794

4-bromo-2,5-dimethyl-thiophene-3-carbonitrile

Structural Information

Molecular Formula
C7H6BrNS
SMILES
CC1=C(C(=C(S1)C)Br)C#N
InChI
InChI=1S/C7H6BrNS/c1-4-6(3-9)7(8)5(2)10-4/h1-2H3
InChIKey
IANQRVWZKAQMGO-UHFFFAOYSA-N
Compound name
4-bromo-2,5-dimethylthiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.94043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.94771 126.7
[M+Na]+ 237.92965 130.4
[M+NH4]+ 232.97425 130.1
[M+K]+ 253.90359 127.5
[M-H]- 213.93315 121.6
[M+Na-2H]- 235.91510 128.1
[M]+ 214.93988 124.5
[M]- 214.94098 124.5
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.