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

15
Patents

178.01093 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01821 130.1
[M+Na]+ 201.00015 141.7
[M-H]- 177.00365 131.4
[M+NH4]+ 196.04475 150.9
[M+K]+ 216.97409 136.8
[M+H-H2O]+ 161.00819 124.3
[M+HCOO]- 223.00913 149.7
[M+CH3COO]- 237.02478 184.6
[M+Na-2H]- 198.98560 133.7
[M]+ 178.01038 126.6
[M]- 178.01148 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