CID 19627195

2173997-09-4

Structural Information

Molecular Formula
C11H12FN3
SMILES
CCC1=NC=CN1C2=C(C=C(C=C2)N)F
InChI
InChI=1S/C11H12FN3/c1-2-11-14-5-6-15(11)10-4-3-8(13)7-9(10)12/h3-7H,2,13H2,1H3
InChIKey
YYMYUROTYQICPP-UHFFFAOYSA-N
Compound name
4-(2-ethylimidazol-1-yl)-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.10153 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.108806 143.0
[M+Na]+ 228.090748 153.0
[M-H]- 204.094254 146.2
[M+NH4]+ 223.135353 161.1
[M+K]+ 244.064688 148.7
[M+H-H2O]+ 188.098790 134.1
[M+HCOO]- 250.099731 166.0
[M+CH3COO]- 264.115381 188.5
[M+Na-2H]- 226.076196 146.8
[M]+ 205.10098142 141.3
[M]- 205.10207858 141.3
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.