CID 43132746

1152588-11-8

Structural Information

Molecular Formula
C8H9F3N2
SMILES
C1=CC(=CC(=C1)NCC(F)(F)F)N
InChI
InChI=1S/C8H9F3N2/c9-8(10,11)5-13-7-3-1-2-6(12)4-7/h1-4,13H,5,12H2
InChIKey
AWZXCDPZJIKNJD-UHFFFAOYSA-N
Compound name
3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07178 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07906 135.4
[M+Na]+ 213.06100 143.1
[M-H]- 189.06450 134.9
[M+NH4]+ 208.10560 154.3
[M+K]+ 229.03494 140.1
[M+H-H2O]+ 173.06904 127.1
[M+HCOO]- 235.06998 156.9
[M+CH3COO]- 249.08563 186.5
[M+Na-2H]- 211.04645 141.8
[M]+ 190.07123 128.6
[M]- 190.07233 128.6
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