CID 59320541

3-fluoro-5-(trifluoromethyl)benzene-1,2-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

194.0467 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05398 134.2
[M+Na]+ 217.03592 144.3
[M-H]- 193.03942 132.7
[M+NH4]+ 212.08052 153.1
[M+K]+ 233.00986 140.7
[M+H-H2O]+ 177.04396 125.6
[M+HCOO]- 239.04490 154.2
[M+CH3COO]- 253.06055 188.1
[M+Na-2H]- 215.02137 137.9
[M]+ 194.04615 125.5
[M]- 194.04725 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

patents stripe