CID 33787116

1-n-cyclohexyl-2-fluoro-1-n-methylbenzene-1,4-diamine

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]+ 223.16051 150.6
[M+Na]+ 245.14245 154.9
[M-H]- 221.14595 156.1
[M+NH4]+ 240.18705 168.5
[M+K]+ 261.11639 152.4
[M+H-H2O]+ 205.15049 142.0
[M+HCOO]- 267.15143 171.8
[M+CH3COO]- 281.16708 197.5
[M+Na-2H]- 243.12790 153.0
[M]+ 222.15268 143.5
[M]- 222.15378 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.