CID 735814

175277-91-5

Structural Information

Molecular Formula
C10H13F3N2
SMILES
CC(C)NC1=C(C=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C10H13F3N2/c1-6(2)15-9-4-3-7(5-8(9)14)10(11,12)13/h3-6,15H,14H2,1-2H3
InChIKey
ZNVHJHXDEMIHDL-UHFFFAOYSA-N
Compound name
1-N-propan-2-yl-4-(trifluoromethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

218.10309 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11037 145.3
[M+Na]+ 241.09231 152.8
[M-H]- 217.09581 144.9
[M+NH4]+ 236.13691 163.3
[M+K]+ 257.06625 149.8
[M+H-H2O]+ 201.10035 136.9
[M+HCOO]- 263.10129 165.1
[M+CH3COO]- 277.11694 194.6
[M+Na-2H]- 239.07776 148.5
[M]+ 218.10254 138.9
[M]- 218.10364 138.9
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