CID 97161592

2,3-diamino-6-fluorobenzotrifluoride

Structural Information

Molecular Formula
C7H6F4N2
SMILES
C1=CC(=C(C(=C1N)N)C(F)(F)F)F
InChI
InChI=1S/C7H6F4N2/c8-3-1-2-4(12)6(13)5(3)7(9,10)11/h1-2H,12-13H2
InChIKey
BQQMRJNYMGPMCL-UHFFFAOYSA-N
Compound name
4-fluoro-3-(trifluoromethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0467 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.053976 134.2
[M+Na]+ 217.035918 144.3
[M-H]- 193.039424 132.7
[M+NH4]+ 212.080523 153.1
[M+K]+ 233.009858 140.7
[M+H-H2O]+ 177.043960 125.6
[M+HCOO]- 239.044901 154.2
[M+CH3COO]- 253.060551 188.1
[M+Na-2H]- 215.021366 137.9
[M]+ 194.04615142 125.5
[M]- 194.04724858 125.5
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

No patent data available for this compound.