CID 28476786

2,4-difluoro-n-(thiophen-2-ylmethyl)aniline

Structural Information

Molecular Formula
C11H9F2NS
SMILES
C1=CSC(=C1)CNC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C11H9F2NS/c12-8-3-4-11(10(13)6-8)14-7-9-2-1-5-15-9/h1-6,14H,7H2
InChIKey
CVBGLSVQCACICM-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(thiophen-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.04237 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.04965 146.6
[M+Na]+ 248.03159 157.7
[M+NH4]+ 243.07619 155.3
[M+K]+ 264.00553 150.0
[M-H]- 224.03509 149.0
[M+Na-2H]- 246.01704 153.7
[M]+ 225.04182 149.2
[M]- 225.04292 149.2
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.