CID 28476786

1019513-80-4

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]+ 226.049646 142.4
[M+Na]+ 248.031588 152.1
[M-H]- 224.035094 147.4
[M+NH4]+ 243.076193 163.1
[M+K]+ 264.005528 147.2
[M+H-H2O]+ 208.039630 134.5
[M+HCOO]- 270.040571 162.5
[M+CH3COO]- 284.056221 189.2
[M+Na-2H]- 246.017036 144.4
[M]+ 225.04182142 141.7
[M]- 225.04291858 141.7
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.