CID 19621381

5-fluoro-2-(2-methyl-1h-imidazol-1-yl)aniline

Structural Information

Molecular Formula
C10H10FN3
SMILES
CC1=NC=CN1C2=C(C=C(C=C2)F)N
InChI
InChI=1S/C10H10FN3/c1-7-13-4-5-14(7)10-3-2-8(11)6-9(10)12/h2-6H,12H2,1H3
InChIKey
LBBDPBFLKPKIJG-UHFFFAOYSA-N
Compound name
5-fluoro-2-(2-methylimidazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.08588 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.09316 138.4
[M+Na]+ 214.07510 148.8
[M-H]- 190.07860 141.8
[M+NH4]+ 209.11970 157.1
[M+K]+ 230.04904 144.8
[M+H-H2O]+ 174.08314 129.8
[M+HCOO]- 236.08408 161.7
[M+CH3COO]- 250.09973 151.9
[M+Na-2H]- 212.06055 142.8
[M]+ 191.08533 136.4
[M]- 191.08643 136.4
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.