CID 2529373

1-n,1-n-dimethyl-4-(trifluoromethyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C9H11F3N2
SMILES
CN(C)C1=C(C=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C9H11F3N2/c1-14(2)8-4-3-6(5-7(8)13)9(10,11)12/h3-5H,13H2,1-2H3
InChIKey
CTAFZNWWARLWMI-UHFFFAOYSA-N
Compound name
1-N,1-N-dimethyl-4-(trifluoromethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

204.08743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09471 140.3
[M+Na]+ 227.07665 148.7
[M-H]- 203.08015 141.5
[M+NH4]+ 222.12125 159.6
[M+K]+ 243.05059 146.8
[M+H-H2O]+ 187.08469 131.9
[M+HCOO]- 249.08563 161.9
[M+CH3COO]- 263.10128 194.1
[M+Na-2H]- 225.06210 144.6
[M]+ 204.08688 135.5
[M]- 204.08798 135.5
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