CID 4193976

4-(diethylamino)-3'-fluoroazobenzene

Structural Information

Molecular Formula
C16H18FN3
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=CC(=CC=C2)F
InChI
InChI=1S/C16H18FN3/c1-3-20(4-2)16-10-8-14(9-11-16)18-19-15-7-5-6-13(17)12-15/h5-12H,3-4H2,1-2H3
InChIKey
WBAPZYAUNDQWNB-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[(3-fluorophenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14847 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15575 162.7
[M+Na]+ 294.13769 169.1
[M-H]- 270.14119 172.0
[M+NH4]+ 289.18229 180.1
[M+K]+ 310.11163 166.7
[M+H-H2O]+ 254.14573 152.4
[M+HCOO]- 316.14667 192.0
[M+CH3COO]- 330.16232 214.8
[M+Na-2H]- 292.12314 168.8
[M]+ 271.14792 164.2
[M]- 271.14902 164.2
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.