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

51
Patents

202.09062 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.097896 141.1
[M+Na]+ 225.079838 148.9
[M-H]- 201.083344 146.5
[M+NH4]+ 220.124443 159.4
[M+K]+ 241.053778 144.5
[M+H-H2O]+ 185.087880 133.0
[M+HCOO]- 247.088821 166.6
[M+CH3COO]- 261.104471 190.1
[M+Na-2H]- 223.065286 148.0
[M]+ 202.09007142 136.8
[M]- 202.09116858 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