CID 96596

2,6-difluoro-p-phenylenediamine

Structural Information

Molecular Formula
C6H6F2N2
SMILES
C1=C(C=C(C(=C1F)N)F)N
InChI
InChI=1S/C6H6F2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2
InChIKey
XFWCWQUDUPQGKG-UHFFFAOYSA-N
Compound name
2,6-difluorobenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

165
Patents

144.04991 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.057186 123.6
[M+Na]+ 167.039128 133.5
[M-H]- 143.042634 124.8
[M+NH4]+ 162.083733 144.6
[M+K]+ 183.013068 130.7
[M+H-H2O]+ 127.047170 116.6
[M+HCOO]- 189.048111 147.8
[M+CH3COO]- 203.063761 179.6
[M+Na-2H]- 165.024576 128.5
[M]+ 144.04936142 117.7
[M]- 144.05045858 117.7
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