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

60
Patents

144.04991 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05719 123.6
[M+Na]+ 167.03913 133.5
[M-H]- 143.04263 124.8
[M+NH4]+ 162.08373 144.6
[M+K]+ 183.01307 130.7
[M+H-H2O]+ 127.04717 116.6
[M+HCOO]- 189.04811 147.8
[M+CH3COO]- 203.06376 179.6
[M+Na-2H]- 165.02458 128.5
[M]+ 144.04936 117.7
[M]- 144.05046 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