CID 28097

Ns00122633

Structural Information

Molecular Formula
C10H12FN3
SMILES
C1CN=C(N1)CC2=C(C=CC(=C2)F)N
InChI
InChI=1S/C10H12FN3/c11-8-1-2-9(12)7(5-8)6-10-13-3-4-14-10/h1-2,5H,3-4,6,12H2,(H,13,14)
InChIKey
JRHAZUZJGIYZHA-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.10153 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.108806 140.1
[M+Na]+ 216.090748 148.1
[M-H]- 192.094254 141.3
[M+NH4]+ 211.135353 157.6
[M+K]+ 232.064688 143.5
[M+H-H2O]+ 176.098790 131.4
[M+HCOO]- 238.099731 160.5
[M+CH3COO]- 252.115381 152.0
[M+Na-2H]- 214.076196 143.8
[M]+ 193.10098142 134.4
[M]- 193.10207858 134.4
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.