CID 21286303

1-n-ethyl-4-fluorobenzene-1,2-diamine

Structural Information

Molecular Formula
C8H11FN2
SMILES
CCNC1=C(C=C(C=C1)F)N
InChI
InChI=1S/C8H11FN2/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2,10H2,1H3
InChIKey
MWWCJCWHUBZEIA-UHFFFAOYSA-N
Compound name
1-N-ethyl-4-fluorobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

154.09062 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09790 129.8
[M+Na]+ 177.07984 137.9
[M-H]- 153.08334 132.2
[M+NH4]+ 172.12444 150.5
[M+K]+ 193.05378 135.3
[M+H-H2O]+ 137.08788 123.1
[M+HCOO]- 199.08882 155.0
[M+CH3COO]- 213.10447 182.3
[M+Na-2H]- 175.06529 136.0
[M]+ 154.09007 126.4
[M]- 154.09117 126.4
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

patents stripe