CID 18457253

3,6-difluorobenzene-1,2-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
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

No literature data available for this compound.

Patent stripe

patents stripe