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

26
Patents

160.02036 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe