CID 28781046

4-fluoro-n-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

Structural Information

Molecular Formula
C11H11FN2S
SMILES
CC1=NC(=CS1)CNC2=CC=C(C=C2)F
InChI
InChI=1S/C11H11FN2S/c1-8-14-11(7-15-8)6-13-10-4-2-9(12)3-5-10/h2-5,7,13H,6H2,1H3
InChIKey
ZYNRRJSFSMITPD-UHFFFAOYSA-N
Compound name
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0627 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06998 144.2
[M+Na]+ 245.05192 153.9
[M-H]- 221.05542 149.2
[M+NH4]+ 240.09652 163.8
[M+K]+ 261.02586 149.4
[M+H-H2O]+ 205.05996 136.4
[M+HCOO]- 267.06090 164.1
[M+CH3COO]- 281.07655 157.6
[M+Na-2H]- 243.03737 146.7
[M]+ 222.06215 145.1
[M]- 222.06325 145.1
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.