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]+ 191.079056 135.4
[M+Na]+ 213.060998 143.1
[M-H]- 189.064504 134.9
[M+NH4]+ 208.105603 154.3
[M+K]+ 229.034938 140.1
[M+H-H2O]+ 173.069040 127.1
[M+HCOO]- 235.069981 156.9
[M+CH3COO]- 249.085631 186.5
[M+Na-2H]- 211.046446 141.8
[M]+ 190.07123142 128.6
[M]- 190.07232858 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