CID 67870

402-38-0

Structural Information

Molecular Formula
C9H10F3N3
SMILES
CN(C)N=NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C9H10F3N3/c1-15(2)14-13-8-5-3-4-7(6-8)9(10,11)12/h3-6H,1-2H3
InChIKey
LYDULXUBCSVHIU-UHFFFAOYSA-N
Compound name
N-methyl-N-[[3-(trifluoromethyl)phenyl]diazenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08269 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.089966 142.5
[M+Na]+ 240.071908 150.2
[M-H]- 216.075414 146.6
[M+NH4]+ 235.116513 162.2
[M+K]+ 256.045848 149.9
[M+H-H2O]+ 200.079950 132.7
[M+HCOO]- 262.080891 168.9
[M+CH3COO]- 276.096541 202.3
[M+Na-2H]- 238.057356 149.8
[M]+ 217.08214142 140.6
[M]- 217.08323858 140.6
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

No patent data available for this compound.