CID 735773

4-chloro-5-fluoro-1,2-phenylenediamine

Structural Information

Molecular Formula
C6H6ClFN2
SMILES
C1=C(C(=CC(=C1F)Cl)N)N
InChI
InChI=1S/C6H6ClFN2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
InChIKey
BSMPRJISGCTCDC-UHFFFAOYSA-N
Compound name
4-chloro-5-fluorobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

401
Patents

160.02036 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.027636 127.9
[M+Na]+ 183.009578 138.6
[M-H]- 159.013084 130.2
[M+NH4]+ 178.054183 149.2
[M+K]+ 198.983518 134.1
[M+H-H2O]+ 143.017620 122.9
[M+HCOO]- 205.018561 148.6
[M+CH3COO]- 219.034211 180.6
[M+Na-2H]- 180.995026 132.9
[M]+ 160.01981142 125.2
[M]- 160.02090858 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe