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]+ 226.04965 142.4
[M+Na]+ 248.03159 152.1
[M-H]- 224.03509 147.4
[M+NH4]+ 243.07619 163.1
[M+K]+ 264.00553 147.2
[M+H-H2O]+ 208.03963 134.5
[M+HCOO]- 270.04057 162.5
[M+CH3COO]- 284.05622 189.2
[M+Na-2H]- 246.01704 144.4
[M]+ 225.04182 141.7
[M]- 225.04292 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.