CID 2773958

3,4,5-trifluorobenzene-1,2-diamine

Structural Information

Molecular Formula
C6H5F3N2
SMILES
C1=C(C(=C(C(=C1F)F)F)N)N
InChI
InChI=1S/C6H5F3N2/c7-2-1-3(10)6(11)5(9)4(2)8/h1H,10-11H2
InChIKey
WWDBSPRMQHYOOQ-UHFFFAOYSA-N
Compound name
3,4,5-trifluorobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

162.04048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.04776 126.3
[M+Na]+ 185.02970 137.2
[M-H]- 161.03320 126.4
[M+NH4]+ 180.07430 146.8
[M+K]+ 201.00364 133.9
[M+H-H2O]+ 145.03774 118.5
[M+HCOO]- 207.03868 149.3
[M+CH3COO]- 221.05433 183.6
[M+Na-2H]- 183.01515 129.8
[M]+ 162.03993 119.6
[M]- 162.04103 119.6
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