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]+ 218.08997 142.5
[M+Na]+ 240.07191 150.2
[M-H]- 216.07541 146.6
[M+NH4]+ 235.11651 162.2
[M+K]+ 256.04585 149.9
[M+H-H2O]+ 200.07995 132.7
[M+HCOO]- 262.08089 168.9
[M+CH3COO]- 276.09654 202.3
[M+Na-2H]- 238.05736 149.8
[M]+ 217.08214 140.6
[M]- 217.08324 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.