CID 14819973

1-n-(4-fluorophenyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C12H11FN2
SMILES
C1=CC=C(C(=C1)N)NC2=CC=C(C=C2)F
InChI
InChI=1S/C12H11FN2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,14H2
InChIKey
KPJIGTRNAZHTEZ-UHFFFAOYSA-N
Compound name
2-N-(4-fluorophenyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

202.09062 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09790 141.1
[M+Na]+ 225.07984 148.9
[M-H]- 201.08334 146.5
[M+NH4]+ 220.12444 159.4
[M+K]+ 241.05378 144.5
[M+H-H2O]+ 185.08788 133.0
[M+HCOO]- 247.08882 166.6
[M+CH3COO]- 261.10447 190.1
[M+Na-2H]- 223.06529 148.0
[M]+ 202.09007 136.8
[M]- 202.09117 136.8
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

patents stripe