CID 33787116

1092280-03-9

Structural Information

Molecular Formula
C13H19FN2
SMILES
CN(C1CCCCC1)C2=C(C=C(C=C2)N)F
InChI
InChI=1S/C13H19FN2/c1-16(11-5-3-2-4-6-11)13-8-7-10(15)9-12(13)14/h7-9,11H,2-6,15H2,1H3
InChIKey
KCTXGEQZCXCRND-UHFFFAOYSA-N
Compound name
1-N-cyclohexyl-2-fluoro-1-N-methylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.15323 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.160506 150.6
[M+Na]+ 245.142448 154.9
[M-H]- 221.145954 156.1
[M+NH4]+ 240.187053 168.5
[M+K]+ 261.116388 152.4
[M+H-H2O]+ 205.150490 142.0
[M+HCOO]- 267.151431 171.8
[M+CH3COO]- 281.167081 197.5
[M+Na-2H]- 243.127896 153.0
[M]+ 222.15268142 143.5
[M]- 222.15377858 143.5
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

No patent data available for this compound.