CID 54212601

4-chloro-3-fluorobenzene-1,2-diamine

Structural Information

Molecular Formula
C6H6ClFN2
SMILES
C1=CC(=C(C(=C1N)N)F)Cl
InChI
InChI=1S/C6H6ClFN2/c7-3-1-2-4(9)6(10)5(3)8/h1-2H,9-10H2
InChIKey
PWYTVGWBHGZPTG-UHFFFAOYSA-N
Compound name
4-chloro-3-fluorobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

160.02036 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02764 127.9
[M+Na]+ 183.00958 138.6
[M-H]- 159.01308 130.2
[M+NH4]+ 178.05418 149.2
[M+K]+ 198.98352 134.1
[M+H-H2O]+ 143.01762 122.9
[M+HCOO]- 205.01856 148.6
[M+CH3COO]- 219.03421 180.6
[M+Na-2H]- 180.99503 132.9
[M]+ 160.01981 125.2
[M]- 160.02091 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

No literature data available for this compound.

Patent stripe

patents stripe