CID 10702480

4-chloro-3,5-difluorobenzene-1,2-diamine

Structural Information

Molecular Formula
C6H5ClF2N2
SMILES
C1=C(C(=C(C(=C1F)Cl)F)N)N
InChI
InChI=1S/C6H5ClF2N2/c7-4-2(8)1-3(10)6(11)5(4)9/h1H,10-11H2
InChIKey
IHUBEIMJZSCCER-UHFFFAOYSA-N
Compound name
4-chloro-3,5-difluorobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

178.01093 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.018206 130.1
[M+Na]+ 201.000148 141.7
[M-H]- 177.003654 131.4
[M+NH4]+ 196.044753 150.9
[M+K]+ 216.974088 136.8
[M+H-H2O]+ 161.008190 124.3
[M+HCOO]- 223.009131 149.7
[M+CH3COO]- 237.024781 184.6
[M+Na-2H]- 198.985596 133.7
[M]+ 178.01038142 126.6
[M]- 178.01147858 126.6
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