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

45
Patents

154.09062 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.097896 129.8
[M+Na]+ 177.079838 137.9
[M-H]- 153.083344 132.2
[M+NH4]+ 172.124443 150.5
[M+K]+ 193.053778 135.3
[M+H-H2O]+ 137.087880 123.1
[M+HCOO]- 199.088821 155.0
[M+CH3COO]- 213.104471 182.3
[M+Na-2H]- 175.065286 136.0
[M]+ 154.09007142 126.4
[M]- 154.09116858 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